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{
"id": "mp-1211954",
"created_at": "2022-09-04T14:39:30.929254Z",
"structure_string": "Ir4 N12\n1.0\n-3.433379 3.433379 3.433379\n3.433379 -3.433379 3.433379\n3.433379 3.433379 -3.433379\nIr N\n4 12\ndirect\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.908599 0.692655 0.601254 N\n0.091401 0.307345 0.398746 N\n0.091401 0.692655 0.784056 N\n0.908599 0.307345 0.215944 N\n0.692655 0.601254 0.908599 N\n0.307345 0.398746 0.091401 N\n0.692655 0.784056 0.091401 N\n0.307345 0.215944 0.908599 N\n0.601254 0.908599 0.692655 N\n0.398746 0.091401 0.307345 N\n0.215944 0.908599 0.307345 N\n0.784056 0.091401 0.692655 N\n",
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{
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"structure_string": "Ir1 N1\n1.0\n1.405057 -2.433630 0.000000\n1.405057 2.433630 0.000000\n0.000000 0.000000 3.173385\nIr N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.500000 N\n",
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{
"id": "mp-13076",
"created_at": "2022-09-04T14:43:24.703836Z",
"structure_string": "Ir2 N4\n1.0\n2.780109 0.000000 0.000000\n0.000000 4.095479 0.000000\n0.000000 0.000000 4.930313\nIr N\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.371923 0.908697 N\n0.500000 0.628077 0.091303 N\n0.000000 0.128077 0.408697 N\n0.000000 0.871923 0.591303 N\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ir-N",
"density": 13.029127751895928,
"density_atomic": 0.10688339302256392,
"volume": 56.135942453972746,
"volume_molar": 5.634309119218061,
"formula_full": "Ir2 N4",
"formula_reduced": "IrN2",
"formula_anonymous": "AB2",
"energy": -49.72818839,
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{
"id": "mp-1066162",
"created_at": "2022-09-04T14:48:31.111953Z",
"structure_string": "Ir2 N2\n1.0\n1.548064 -2.681325 0.000000\n1.548064 2.681325 0.000000\n0.000000 0.000000 5.187796\nIr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-N",
"density": 15.90253694865138,
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"volume": 43.06765787302125,
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"formula_full": "Ir2 N2",
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"energy": -30.3017713,
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"updated_at": "2021-11-28T01:39:58.388000Z",
"spacegroup": 194
},
{
"id": "mp-1008987",
"created_at": "2022-09-04T14:45:39.769220Z",
"structure_string": "Ir1 N1\n1.0\n0.000000 2.322966 2.322966\n2.322966 0.000000 2.322966\n2.322966 2.322966 0.000000\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 N\n",
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"formula_full": "Ir1 N1",
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"updated_at": "2021-11-28T01:37:03.884000Z",
"spacegroup": 216
},
{
"id": "mp-1007660",
"created_at": "2022-09-04T14:45:52.835205Z",
"structure_string": "Ir2 N2\n1.0\n2.743726 0.000000 0.000000\n0.000000 2.743726 0.000000\n0.000000 0.000000 6.047982\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
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"elements": [
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"volume": 45.52940422730112,
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"updated_at": "2021-11-28T01:37:07.864000Z",
"spacegroup": 131
},
{
"id": "mp-1184774",
"created_at": "2022-09-04T14:48:10.710924Z",
"structure_string": "Ir2 N2\n1.0\n1.433454 -2.482814 0.000000\n1.433454 2.482814 0.000000\n0.000000 0.000000 6.562251\nIr N\n2 2\ndirect\n0.666667 0.333333 0.527748 Ir\n0.333333 0.666667 0.027748 Ir\n0.666667 0.333333 0.847253 N\n0.333333 0.666667 0.347253 N\n",
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"updated_at": "2021-11-28T01:38:25.021000Z",
"spacegroup": 186
},
{
"id": "mp-1102235",
"created_at": "2022-09-04T14:48:14.695623Z",
"structure_string": "Ir4 N8\n1.0\n4.855596 0.000000 0.000000\n0.000000 4.855596 0.000000\n0.000000 0.000000 4.855596\nIr N\n4 8\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.082341 0.917659 0.417659 N\n0.917659 0.417659 0.082341 N\n0.417659 0.082341 0.917659 N\n0.582341 0.582341 0.582341 N\n0.917659 0.082341 0.582341 N\n0.082341 0.582341 0.917659 N\n0.582341 0.917659 0.082341 N\n0.417659 0.417659 0.417659 N\n",
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"volume": 114.47947654163276,
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"formula_full": "Ir4 N8",
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},
{
"id": "mp-1018733",
"created_at": "2022-09-04T14:41:15.820347Z",
"structure_string": "Ir2 N4\n1.0\n1.547450 -2.680262 0.000000\n1.547450 2.680262 0.000000\n0.000000 0.000000 7.495540\nIr N\n2 4\ndirect\n0.666667 0.333333 0.250000 Ir\n0.333333 0.666667 0.750000 Ir\n0.000000 0.000000 0.416391 N\n0.000000 0.000000 0.583609 N\n0.000000 0.000000 0.916391 N\n0.000000 0.000000 0.083609 N\n",
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"spacegroup": 194
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{
"id": "mp-1018734",
"created_at": "2022-09-04T14:42:02.632928Z",
"structure_string": "Ir3 N3\n1.0\n4.104122 0.000000 0.000000\n0.000000 4.104122 0.000000\n0.000000 0.000000 4.104122\nIr N\n3 3\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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{
"id": "mp-1008986",
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"structure_string": "Ir1 N1\n1.0\n0.000000 2.202588 2.202588\n2.202588 0.000000 2.202588\n2.202588 2.202588 0.000000\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Ir4 N8\n1.0\n4.933213 0.000000 0.000000\n0.000000 4.879075 0.000000\n0.000000 1.514543 4.678439\nIr N\n4 8\ndirect\n0.499724 0.233156 0.279235 Ir\n0.999724 0.766844 0.220765 Ir\n0.500276 0.766844 0.720765 Ir\n0.000276 0.233156 0.779235 Ir\n0.913615 0.324607 0.340808 N\n0.413615 0.675393 0.159192 N\n0.086385 0.675393 0.659192 N\n0.586385 0.324607 0.840808 N\n0.402656 0.185693 0.700568 N\n0.902656 0.814307 0.799432 N\n0.597344 0.814307 0.299432 N\n0.097344 0.185693 0.200568 N\n",
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"formula_full": "Ir4 N8",
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"updated_at": "2021-11-28T01:35:42.879000Z",
"spacegroup": 14
}
]
}