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{
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{
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"energy": -19.09688102,
"energy_per_atom": -4.774220255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.09688102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.180000Z",
"spacegroup": 139
},
{
"id": "mp-1310548",
"created_at": "2022-09-04T14:48:04.433679Z",
"structure_string": "Ca8 Co4 Ir4 O24\n1.0\n5.381055 0.000108 -0.011677\n0.009328 11.150496 -0.014432\n-0.002032 -0.010786 7.657251\nCa Co Ir O\n8 4 4 24\ndirect\n0.014517 0.469993 0.247487 Ca\n0.015874 0.971561 0.247090 Ca\n0.484190 0.221901 0.250147 Ca\n0.484936 0.718252 0.251347 Ca\n0.514307 0.279662 0.747864 Ca\n0.514737 0.779012 0.751131 Ca\n0.986162 0.031449 0.751523 Ca\n0.985038 0.527941 0.751747 Ca\n0.000404 0.750164 0.000267 Co\n0.500543 0.499545 0.499292 Co\n0.999649 0.250226 0.999448 Co\n0.499813 0.000171 0.500368 Co\n0.998174 0.252432 0.499341 Ir\n0.001200 0.747825 0.500270 Ir\n0.502462 0.002638 0.000364 Ir\n0.498688 0.497205 0.999380 Ir\n0.096162 0.237100 0.751206 O\n0.097545 0.732354 0.744869 O\n0.403864 0.483819 0.748237 O\n0.404775 0.987224 0.754363 O\n0.596664 0.016427 0.246896 O\n0.595629 0.512260 0.250995 O\n0.902571 0.266285 0.247746 O\n0.902037 0.763914 0.256132 O\n0.198655 0.103699 0.047726 O\n0.205472 0.596360 0.047599 O\n0.299692 0.352517 0.452888 O\n0.294374 0.845692 0.451778 O\n0.706330 0.154569 0.546926 O\n0.698978 0.646930 0.548890 O\n0.800197 0.396670 0.952373 O\n0.797788 0.904249 0.951658 O\n0.189801 0.106213 0.448703 O\n0.199380 0.599091 0.448509 O\n0.299369 0.350066 0.048553 O\n0.311437 0.856385 0.050672 O\n0.700051 0.151218 0.949915 O\n0.689455 0.642923 0.951573 O\n0.799189 0.401095 0.550075 O\n0.809894 0.892961 0.554650 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Ir",
"O"
],
"chemical_system": "Ca-Co-Ir-O",
"density": 6.177477420039179,
"density_atomic": 0.08706157887492744,
"volume": 459.444918377416,
"volume_molar": 6.9171049248387755,
"formula_full": "Ca8 Co4 Ir4 O24",
"formula_reduced": "Ca2CoIrO6",
"formula_anonymous": "ABC2D6",
"energy": -282.55474793,
"energy_per_atom": -7.06386869825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.51474793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.22924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.175000Z",
"spacegroup": 7
}
]
}