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"energy": -148.8117848,
"energy_per_atom": -7.4405892399999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.9737848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.879000Z",
"spacegroup": 7
},
{
"id": "mp-1043825",
"created_at": "2022-09-04T14:43:16.205538Z",
"structure_string": "Ca4 La4 Ti4 Fe4 O24\n1.0\n5.574034 -0.000007 -0.000001\n-0.000008 5.512288 7.809224\n0.000006 -5.516001 7.812688\nCa La Ti Fe O\n4 4 4 4 24\ndirect\n0.540891 0.380775 0.869261 Ca\n0.540905 0.880772 0.369271 Ca\n0.959108 0.380772 0.369269 Ca\n0.959108 0.880759 0.869265 Ca\n0.032168 0.620735 0.628502 La\n0.032186 0.120739 0.128513 La\n0.467817 0.620729 0.128516 La\n0.467814 0.120744 0.628516 La\n0.500660 0.249206 0.249260 Ti\n0.500653 0.749206 0.749263 Ti\n0.999341 0.749209 0.249257 Ti\n0.999339 0.249203 0.749265 Ti\n0.499956 0.999978 0.000341 Fe\n0.000045 0.999978 0.500339 Fe\n0.499958 0.499979 0.500340 Fe\n0.000040 0.499979 0.000335 Fe\n0.017541 0.669550 0.084770 O\n0.017542 0.169552 0.584767 O\n0.482465 0.169553 0.084766 O\n0.482463 0.669549 0.584769 O\n0.210223 0.587229 0.369223 O\n0.210219 0.087228 0.869221 O\n0.289774 0.587231 0.869221 O\n0.289782 0.087230 0.369220 O\n0.218888 0.377657 0.167811 O\n0.218885 0.877656 0.667809 O\n0.281111 0.377658 0.667807 O\n0.281113 0.877657 0.167811 O\n0.521103 0.833969 0.912393 O\n0.521105 0.333972 0.412391 O\n0.978897 0.333970 0.912391 O\n0.978898 0.833971 0.412389 O\n0.715429 0.409693 0.132465 O\n0.715425 0.909695 0.632464 O\n0.784571 0.409691 0.632462 O\n0.784574 0.909692 0.132465 O\n0.720582 0.621205 0.335970 O\n0.720578 0.121208 0.835967 O\n0.779420 0.621207 0.835969 O\n0.779425 0.121207 0.335968 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Ti",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-O-Ti",
"density": 5.238574920884318,
"density_atomic": 0.08330634498774253,
"volume": 480.15550323190257,
"volume_molar": 7.22891006787788,
"formula_full": "Ca4 La4 Ti4 Fe4 O24",
"formula_reduced": "CaLaTiFeO6",
"formula_anonymous": "ABCDE6",
"energy": -340.00189142,
"energy_per_atom": -8.500047285499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.48989142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.303000Z",
"spacegroup": 7
}
]
}