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{
"id": "jvasp-9153",
"created_at": "2022-09-04T14:37:33.743532Z",
"updated_at": "2022-09-04T14:37:33.743561Z",
"structure_string": "Ir4 N8\n1.0\n0.000000 4.882553 0.001526\n4.936911 0.000000 0.000000\n0.000000 -1.517086 -4.681582\nIr N\n4 8\ndirect\n0.233395 0.499796 0.720791 Ir\n0.766603 0.999796 0.779207 Ir\n0.766603 0.500204 0.279207 Ir\n0.233395 0.000204 0.220792 Ir\n0.324697 0.913684 0.659060 N\n0.675301 0.413684 0.840939 N\n0.675302 0.086316 0.340939 N\n0.324697 0.586316 0.159060 N\n0.185789 0.402676 0.299408 N\n0.814210 0.902676 0.200591 N\n0.814210 0.597324 0.700591 N\n0.185788 0.097324 0.799408 N\n",
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{
"id": "jvasp-16907",
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"structure_string": "Ir2 N4\n1.0\n2.789519 0.000000 0.000000\n0.000000 4.094053 0.000000\n0.000000 -0.000000 4.932143\nIr N\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.371499 0.908867 N\n0.500000 0.628500 0.091132 N\n0.000000 0.128500 0.408867 N\n0.000000 0.871499 0.591132 N\n",
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"elements": [
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},
{
"id": "jvasp-36281",
"created_at": "2022-09-04T14:38:19.672133Z",
"updated_at": "2022-09-04T14:38:19.672162Z",
"structure_string": "Ir1 N1\n1.0\n2.207041 2.207041 -0.000000\n2.207041 0.000000 -2.207041\n0.000000 2.207041 -2.207041\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"volume": 21.501125737113934,
"volume_molar": 6.474140284367943,
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"spacegroup": 225
},
{
"id": "jvasp-36298",
"created_at": "2022-09-04T14:38:20.192593Z",
"updated_at": "2022-09-04T14:38:20.192617Z",
"structure_string": "Ir1 N2\n1.0\n1.543516 -2.673449 0.000000\n1.543516 2.673449 0.000000\n-0.000000 -0.000000 3.777693\nIr N\n1 2\ndirect\n0.666668 0.333334 0.500000 Ir\n0.000000 0.000000 0.832555 N\n0.000000 0.000000 0.167444 N\n",
"nsites": 3,
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"elements": [
"Ir",
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],
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"density": 11.729693622245088,
"density_atomic": 0.09622359050691248,
"volume": 31.177385755362007,
"volume_molar": 6.258486851586964,
"formula_full": "Ir1 N2",
"formula_reduced": "IrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.733802533333333,
"spacegroup": 187
},
{
"id": "jvasp-35906",
"created_at": "2022-09-04T14:37:34.561855Z",
"updated_at": "2022-09-04T14:37:34.561874Z",
"structure_string": "Ir3 N3\n1.0\n4.109393 0.000000 -0.000000\n0.000000 4.109393 -0.000000\n0.000000 0.000000 4.109393\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",
"nsites": 6,
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"elements": [
"Ir",
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"chemical_system": "Ir-N",
"density": 14.803891598620035,
"density_atomic": 0.0864605950077319,
"volume": 69.39577502865252,
"volume_molar": 6.965185422863976,
"formula_full": "Ir3 N3",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy_above_hull": 3.674807175,
"spacegroup": 221
},
{
"id": "jvasp-36291",
"created_at": "2022-09-04T14:37:20.023167Z",
"updated_at": "2022-09-04T14:37:20.023191Z",
"structure_string": "Ir1 N1\n1.0\n1.409745 -2.441749 0.000000\n1.409745 2.441749 0.000000\n0.000000 -0.000000 3.169987\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.666669 0.333335 0.500001 N\n",
"nsites": 2,
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"elements": [
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],
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"density": 15.691288727339272,
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"volume": 21.82373393666216,
"volume_molar": 6.5712798837684225,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
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"energy_above_hull": 3.969342175,
"spacegroup": 187
},
{
"id": "jvasp-79452",
"created_at": "2022-09-04T14:37:14.191403Z",
"updated_at": "2022-09-04T14:37:14.191430Z",
"structure_string": "Ir2 N2\n1.0\n2.749098 0.000000 0.000000\n-0.000000 2.749098 0.000000\n0.000000 0.000000 6.055650\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",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
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],
"chemical_system": "Ir-N",
"density": 14.964990923200395,
"density_atomic": 0.0874014789209767,
"volume": 45.76581597225106,
"volume_molar": 6.890204644528803,
"formula_full": "Ir2 N2",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
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"spacegroup": 131
},
{
"id": "jvasp-78788",
"created_at": "2022-09-04T14:37:11.862922Z",
"updated_at": "2022-09-04T14:37:11.862942Z",
"structure_string": "Ir1 N2\n1.0\n-1.376594 -3.016379 0.000000\n-1.376594 3.016379 0.000000\n0.000000 0.000000 -3.747529\nIr N\n1 2\ndirect\n0.288540 0.711458 0.500000 Ir\n0.022378 0.977620 0.167636 N\n0.022378 0.977620 0.832364 N\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.0963949929432197,
"volume": 31.121948437374893,
"volume_molar": 6.2473584738444545,
"formula_full": "Ir1 N2",
"formula_reduced": "IrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.696345866666666,
"spacegroup": 38
},
{
"id": "jvasp-36282",
"created_at": "2022-09-04T14:37:19.703024Z",
"updated_at": "2022-09-04T14:37:19.703041Z",
"structure_string": "Ir1 N1\n1.0\n2.324992 2.324992 0.000000\n2.324992 0.000000 -2.324992\n-0.000000 2.324992 -2.324992\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.749999 0.749999 0.749999 N\n",
"nsites": 2,
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"density": 13.623644037602357,
"density_atomic": 0.07956748141647017,
"volume": 25.135896780892796,
"volume_molar": 7.568595427168365,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy_above_hull": 3.603077175,
"spacegroup": 216
},
{
"id": "jvasp-36285",
"created_at": "2022-09-04T14:37:19.106352Z",
"updated_at": "2022-09-04T14:37:19.106381Z",
"structure_string": "Ir1 N1\n1.0\n2.763784 0.000000 -0.000000\n0.000000 2.763784 0.000000\n-0.000000 0.000000 2.763784\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.499999 N\n",
"nsites": 2,
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"elements": [
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"density": 16.220916068118175,
"density_atomic": 0.0947365795998337,
"volume": 21.11116960785347,
"volume_molar": 6.35672174933638,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
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"energy_above_hull": 4.050807174999999,
"spacegroup": 221
},
{
"id": "jvasp-35905",
"created_at": "2022-09-04T14:37:34.843178Z",
"updated_at": "2022-09-04T14:37:34.843197Z",
"structure_string": "Ir2 N4\n1.0\n2.744606 0.000000 0.000000\n-1.372303 3.010588 -0.000000\n0.000000 0.000000 7.434965\nIr N\n2 4\ndirect\n0.728567 0.457129 0.250000 Ir\n0.271436 0.542871 0.749999 Ir\n1.002181 1.004358 0.414980 N\n-0.002178 -0.004357 0.585020 N\n-0.002178 -0.004357 0.914979 N\n1.002181 1.004358 0.085020 N\n",
"nsites": 6,
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"formula_full": "Ir2 N4",
"formula_reduced": "IrN2",
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"energy_above_hull": 4.684442533333333,
"spacegroup": 63
},
{
"id": "jvasp-28443",
"created_at": "2022-09-04T14:37:01.189279Z",
"updated_at": "2022-09-04T14:37:01.189297Z",
"structure_string": "Ir2 I6\n1.0\n6.548853 -0.000000 -2.105545\n3.274426 -5.959717 -1.052772\n0.031539 -0.000000 -6.851942\nIr I\n2 6\ndirect\n0.166607 0.666786 -0.000000 Ir\n0.833393 0.333214 0.000001 Ir\n0.571008 0.351385 0.769032 I\n0.428992 0.648615 0.230968 I\n0.077608 0.351385 0.230967 I\n0.922393 0.648615 0.769033 I\n0.219889 -0.000000 0.766717 I\n0.780110 -0.000000 0.233284 I\n",
"nsites": 8,
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"elements": [
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"volume": 267.03080658205397,
"volume_molar": 20.101213806168293,
"formula_full": "Ir2 I6",
"formula_reduced": "IrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8806124812499998,
"spacegroup": 12
}
]
}