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"energy_per_atom": -7.141396746,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.75096746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.189000Z",
"spacegroup": 216
},
{
"id": "mp-1049271",
"created_at": "2022-09-04T14:42:11.544821Z",
"structure_string": "Ca2 La2 Mn2 Cr2 O12\n1.0\n5.455189 0.000004 -0.001765\n0.000004 5.489374 0.000017\n-0.012134 0.000024 7.716541\nCa La Mn Cr O\n2 2 2 2 12\ndirect\n0.490678 0.458631 0.749995 Ca\n0.990678 0.041376 0.250003 Ca\n0.006328 0.969367 0.750058 La\n0.506327 0.530626 0.250063 La\n0.500344 0.999998 0.000564 Mn\n0.000344 0.499998 0.500568 Mn\n0.500247 0.999738 0.499467 Cr\n0.000243 0.500255 0.999470 Cr\n0.070375 0.481378 0.255436 O\n0.570373 0.018628 0.755435 O\n0.222944 0.212661 0.962539 O\n0.722942 0.287341 0.462541 O\n0.211434 0.221909 0.538225 O\n0.711437 0.278091 0.038225 O\n0.294747 0.717777 0.958014 O\n0.794750 0.782224 0.458014 O\n0.282540 0.707254 0.541380 O\n0.782538 0.792745 0.041380 O\n0.420364 0.985696 0.244312 O\n0.920365 0.514307 0.744313 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-La-Mn-O",
"density": 5.488954353829075,
"density_atomic": 0.08655156516158938,
"volume": 231.0761216467958,
"volume_molar": 6.957864654159436,
"formula_full": "Ca2 La2 Mn2 Cr2 O12",
"formula_reduced": "CaLaMnCrO6",
"formula_anonymous": "ABCDE6",
"energy": -168.00423542,
"energy_per_atom": -8.400211770999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.42623542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.229000Z",
"spacegroup": 7
}
]
}