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"results": [
{
"id": "mp-1105762",
"created_at": "2022-09-04T14:40:01.927350Z",
"structure_string": "U8 Ir8\n1.0\n10.630335 0.000000 0.000000\n0.000000 5.597811 0.000000\n0.000000 0.818972 5.554419\nU Ir\n8 8\ndirect\n0.496142 0.102668 0.868712 U\n0.996142 0.897332 0.131288 U\n0.492177 0.653460 0.387249 U\n0.992177 0.346540 0.612751 U\n0.222315 0.400547 0.143166 U\n0.722315 0.599453 0.856834 U\n0.225258 0.843329 0.604365 U\n0.725258 0.156671 0.395635 U\n0.757986 0.094818 0.901277 Ir\n0.257986 0.905182 0.098723 Ir\n0.755289 0.660329 0.349168 Ir\n0.255289 0.339671 0.650832 Ir\n0.958690 0.398304 0.107187 Ir\n0.458690 0.601696 0.892813 Ir\n0.960144 0.846698 0.638612 Ir\n0.460144 0.153302 0.361388 Ir\n",
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{
"id": "mp-974426",
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"structure_string": "Re6 Sn2\n1.0\n2.863660 -4.960005 0.000000\n2.863660 4.960005 0.000000\n0.000000 0.000000 4.581331\nRe Sn\n6 2\ndirect\n0.164365 0.328731 0.250000 Re\n0.671269 0.835635 0.250000 Re\n0.164365 0.835635 0.250000 Re\n0.835635 0.671269 0.750000 Re\n0.328731 0.164365 0.750000 Re\n0.835635 0.164365 0.750000 Re\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
"id": "mp-866299",
"created_at": "2022-09-04T14:45:40.956993Z",
"structure_string": "Er1 Ta1 Os2\n1.0\n0.000000 3.271258 3.271258\n3.271258 0.000000 3.271258\n3.271258 3.271258 0.000000\nEr Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
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"elements": [
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"density": 17.282387504917285,
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"volume": 70.0123070630874,
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"formula_full": "Er1 Ta1 Os2",
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"spacegroup": 225
},
{
"id": "mp-1186895",
"created_at": "2022-09-04T14:48:15.616280Z",
"structure_string": "Re3 H1\n1.0\n0.000000 2.995851 2.995851\n2.995851 0.000000 2.995851\n2.995851 2.995851 0.000000\nRe H\n3 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 H\n",
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"density": 17.280592839870263,
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"volume": 53.77626371277456,
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"formula_full": "Re3 H1",
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"spacegroup": 225
},
{
"id": "mp-1079296",
"created_at": "2022-09-04T14:46:01.071302Z",
"structure_string": "Hf2 Au6\n1.0\n4.876335 0.000000 0.000000\n0.000000 4.968877 0.000000\n0.000000 0.000000 6.106110\nHf Au\n2 6\ndirect\n0.500000 0.657789 0.500000 Hf\n0.000000 0.342211 0.000000 Hf\n0.500000 0.161359 0.751202 Au\n0.500000 0.161359 0.248798 Au\n0.000000 0.838641 0.748798 Au\n0.000000 0.838641 0.251202 Au\n0.000000 0.347349 0.500000 Au\n0.500000 0.652651 0.000000 Au\n",
"nsites": 8,
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"elements": [
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"density": 17.270665047114395,
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"volume": 147.9504885802751,
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"formula_full": "Hf2 Au6",
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"spacegroup": 59
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{
"id": "mp-20272",
"created_at": "2022-09-04T14:48:06.756117Z",
"structure_string": "Gd1 Pt3\n1.0\n4.149490 0.000000 0.000000\n0.000000 4.149490 0.000000\n0.000000 0.000000 4.149490\nGd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\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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"elements": [
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"density": 17.256891094948458,
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"volume": 71.44702781311234,
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"formula_full": "Gd1 Pt3",
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"updated_at": "2021-11-28T01:38:23.622000Z",
"spacegroup": 221
},
{
"id": "mp-1077278",
"created_at": "2022-09-04T14:44:41.157686Z",
"structure_string": "Pu1 B2 Os3\n1.0\n0.001044 0.000602 2.969065\n5.595785 -0.001373 0.002759\n-2.799082 4.848152 0.000000\nPu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000177 0.334035 0.667018 B\n0.999823 0.665965 0.332982 B\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 6,
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"elements": [
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"density": 17.24336813924327,
"density_atomic": 0.07449994031909707,
"volume": 80.53697726871843,
"volume_molar": 8.083416891619045,
"formula_full": "Pu1 B2 Os3",
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"updated_at": "2021-11-28T01:36:41.750000Z",
"spacegroup": 191
},
{
"id": "mp-22409",
"created_at": "2022-09-04T14:39:20.743372Z",
"structure_string": "Hf6 B4 Ir10\n1.0\n9.282961 0.000000 0.000000\n0.000000 9.282961 0.000000\n0.000000 0.000000 3.394019\nHf B Ir\n6 4 10\ndirect\n0.175879 0.675879 0.000000 Hf\n0.324121 0.175879 0.000000 Hf\n0.824121 0.324121 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.675879 0.824121 0.000000 Hf\n0.000000 0.000000 0.000000 Hf\n0.380727 0.880727 0.000000 B\n0.119273 0.380727 0.000000 B\n0.880727 0.619273 0.000000 B\n0.619273 0.119273 0.000000 B\n0.220032 0.927370 0.500000 Ir\n0.927370 0.779968 0.500000 Ir\n0.427370 0.720032 0.500000 Ir\n0.572630 0.279968 0.500000 Ir\n0.720032 0.572630 0.500000 Ir\n0.279968 0.427370 0.500000 Ir\n0.072630 0.220032 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.779968 0.072630 0.500000 Ir\n",
"nsites": 20,
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"elements": [
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"density": 17.2390837626284,
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"volume": 292.47403785793995,
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"formula_full": "Hf6 B4 Ir10",
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"energy": -191.5772013,
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"spacegroup": 127
},
{
"id": "mp-1186165",
"created_at": "2022-09-04T14:42:10.089447Z",
"structure_string": "Np3 P1\n1.0\n-2.096849 2.096849 4.064161\n2.096849 -2.096849 4.064161\n2.096849 2.096849 -4.064161\nNp P\n3 1\ndirect\n0.750002 0.250000 0.500002 Np\n0.250000 0.750002 0.500002 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.000000 P\n",
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{
"id": "mp-1017542",
"created_at": "2022-09-04T14:47:24.643836Z",
"structure_string": "Zr1 Os3\n1.0\n3.996587 0.000000 0.000000\n0.000000 3.996587 0.000000\n0.000000 0.000000 3.996587\nZr Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
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{
"id": "mp-1072199",
"created_at": "2022-09-04T14:46:28.821904Z",
"structure_string": "Pu1 B2 Ir3\n1.0\n2.739776 -4.745431 0.000000\n2.739776 4.745431 0.000000\n0.000000 0.000000 3.124587\nPu B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Pu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
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"density": 17.214271147097392,
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"volume": 81.24812310036218,
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"formula_full": "Pu1 B2 Ir3",
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{
"id": "mp-2848",
"created_at": "2022-09-04T14:42:15.758357Z",
"structure_string": "Pu10 Ir6\n1.0\n-5.572797 5.572797 2.791304\n5.572797 -5.572797 2.791304\n5.572797 5.572797 -2.791304\nPu Ir\n10 6\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.082475 0.779038 0.861513 Pu\n0.779038 0.917525 0.696563 Pu\n0.220962 0.082475 0.303437 Pu\n0.917525 0.220962 0.138487 Pu\n0.279038 0.582475 0.861513 Pu\n0.720962 0.417525 0.138487 Pu\n0.417525 0.279038 0.696563 Pu\n0.582475 0.720962 0.303437 Pu\n0.750000 0.750000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.164223 0.335777 0.500000 Ir\n0.335777 0.835777 0.171553 Ir\n0.664223 0.164223 0.828447 Ir\n0.835777 0.664223 0.500000 Ir\n",
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"density": 17.207954168803614,
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"volume": 346.7476895021715,
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"formula_full": "Pu10 Ir6",
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]
}