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"structure_string": "Li8 Ni4 O12\n1.0\n4.867525 -0.001539 0.422151\n-2.489897 4.182489 0.422151\n0.000380 0.000669 9.493206\nLi Ni O\n8 4 12\ndirect\n0.837204 0.673506 0.500207 Li\n0.673505 0.837206 0.000207 Li\n0.499999 0.000000 0.500000 Li\n0.084051 0.915949 0.750000 Li\n0.915947 0.084052 0.250000 Li\n0.326494 0.162795 0.999794 Li\n-0.000000 0.500000 -0.000000 Li\n0.162794 0.326494 0.499793 Li\n0.582837 0.417162 0.250000 Ni\n0.249684 0.750315 0.250000 Ni\n0.750314 0.249685 0.750000 Ni\n0.417162 0.582838 0.750000 Ni\n0.402186 0.878561 0.862159 O\n0.233692 0.046110 0.363538 O\n0.597813 0.121440 0.137841 O\n0.477386 0.309440 0.637959 O\n0.878559 0.402187 0.362159 O\n0.690559 0.522614 0.862041 O\n0.046110 0.233693 0.863538 O\n0.953889 0.766308 0.136462 O\n0.309440 0.477387 0.137959 O\n0.121439 0.597814 0.637841 O\n0.522613 0.690560 0.362041 O\n0.766306 0.953891 0.636463 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-Ni-O",
"density": 4.144702327071139,
"density_atomic": 0.12420619852379422,
"volume": 193.22707147664866,
"volume_molar": 4.848502596145663,
"formula_full": "Li8 Ni4 O12",
"formula_reduced": "Li2NiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5043938166666668,
"spacegroup": 15
},
{
"id": "jvasp-107584",
"created_at": "2022-09-04T14:38:47.839413Z",
"updated_at": "2022-09-04T14:38:47.839439Z",
"structure_string": "Cr2 Co2 N4\n1.0\n2.748631 0.000062 0.000000\n-1.374261 2.380208 0.000000\n-0.000000 -0.000000 9.844597\nCr Co N\n2 2 4\ndirect\n0.333395 0.666778 0.250000 Cr\n0.666616 0.333251 0.750000 Cr\n0.000004 0.000006 0.000000 Co\n0.000004 0.000006 0.500000 Co\n0.666758 0.333515 0.125666 N\n0.333254 0.666517 0.874334 N\n0.333254 0.666517 0.625666 N\n0.666758 0.333515 0.374334 N\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-Cr-N",
"density": 7.164400609628847,
"density_atomic": 0.12420956408575415,
"volume": 64.40727860921248,
"volume_molar": 4.848371221915182,
"formula_full": "Cr2 Co2 N4",
"formula_reduced": "CrCoN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5511512,
"spacegroup": 194
}
]
}