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{
"id": "mp-1103797",
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{
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{
"id": "mp-1105856",
"created_at": "2022-09-04T14:39:38.952157Z",
"structure_string": "Np4 Pt12\n1.0\n2.899680 -5.022392 0.000000\n2.899680 5.022392 0.000000\n0.000000 0.000000 9.841795\nNp Pt\n4 12\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.333333 0.666667 0.250000 Np\n0.666667 0.333333 0.750000 Np\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.830287 0.660573 0.250000 Pt\n0.339427 0.169713 0.250000 Pt\n0.830287 0.169713 0.250000 Pt\n0.169713 0.339427 0.750000 Pt\n0.660573 0.830287 0.750000 Pt\n0.169713 0.830287 0.750000 Pt\n",
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"formula_full": "Np4 Pt12",
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{
"id": "mp-1186823",
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"structure_string": "Pu2 Pt6\n1.0\n2.936290 -5.085804 0.000000\n2.936290 5.085804 0.000000\n0.000000 0.000000 4.836290\nPu Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.161413 0.322826 0.250000 Pt\n0.677174 0.838587 0.250000 Pt\n0.161413 0.838587 0.250000 Pt\n0.838587 0.677174 0.750000 Pt\n0.322826 0.161413 0.750000 Pt\n0.838587 0.161413 0.750000 Pt\n",
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"formula_full": "Pu2 Pt6",
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{
"id": "mp-1186212",
"created_at": "2022-09-04T14:48:05.107805Z",
"structure_string": "Np6 Au2\n1.0\n6.668029 0.000000 0.000000\n-3.334013 5.774680 0.000000\n0.000000 0.000000 4.106795\nNp Au\n6 2\ndirect\n0.150005 0.300010 0.250000 Np\n0.699991 0.849995 0.250000 Np\n0.150005 0.849995 0.250000 Np\n0.849997 0.699989 0.749999 Np\n0.300012 0.150006 0.749999 Np\n0.849994 0.150006 0.749999 Np\n0.333333 0.666667 0.749999 Au\n0.666667 0.333333 0.250000 Au\n",
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"elements": [
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"density": 19.068675302342648,
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"volume": 158.13515465398237,
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"formula_full": "Np6 Au2",
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"energy": -80.18148172,
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"updated_at": "2021-11-28T01:38:23.570000Z",
"spacegroup": 194
},
{
"id": "mp-30852",
"created_at": "2022-09-04T14:46:15.115717Z",
"structure_string": "Ti1 Pt8\n1.0\n-4.214430 4.214430 1.970165\n4.214430 -4.214430 1.970165\n4.214430 4.214430 -1.970165\nTi Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.338116 0.661884 0.000000 Pt\n0.661884 0.338116 0.000000 Pt\n0.338116 0.338116 0.676232 Pt\n0.671028 0.000000 0.671028 Pt\n0.000000 0.671028 0.671028 Pt\n0.000000 0.328972 0.328972 Pt\n0.328972 0.000000 0.328972 Pt\n0.661884 0.661884 0.323768 Pt\n",
"nsites": 9,
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"elements": [
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"density": 19.082725895430062,
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"volume": 139.97171390956044,
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"formula_full": "Ti1 Pt8",
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"energy": -60.37475542,
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{
"id": "mp-1219694",
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"structure_string": "Pu1 Np1\n1.0\n-1.920439 -1.535713 1.535713\n-1.920439 1.535713 -1.535713\n0.000000 -3.547963 -3.547963\nPu Np\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Np\n",
"nsites": 2,
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"elements": [
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"density": 19.082906515667162,
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{
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"structure_string": "Fe1 Ir3\n1.0\n-1.904076 1.904076 3.794736\n1.904076 -1.904076 3.794736\n1.904076 1.904076 -3.794736\nFe Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
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{
"id": "mp-1219810",
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"structure_string": "Pu4 Zr1\n1.0\n-1.617975 -1.715632 1.715632\n-1.617975 1.715632 -1.715632\n-1.617975 -8.353323 -8.353323\nPu Zr\n4 1\ndirect\n0.383343 0.383343 0.233314 Pu\n0.799538 0.799538 0.400924 Pu\n0.200462 0.200462 0.599076 Pu\n0.616657 0.616657 0.766686 Pu\n0.000000 0.000000 0.000000 Zr\n",
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{
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"structure_string": "Pu1 Pt3\n1.0\n4.160644 0.000000 0.000000\n0.000000 4.160644 0.000000\n0.000000 0.000000 4.160644\nPu Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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{
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{
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}