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"volume": 452.74365539167565,
"volume_molar": 8.520268815517513,
"formula_full": "Yb2 Cl6 O24",
"formula_reduced": "Yb(ClO4)3",
"formula_anonymous": "AB3C12",
"energy": -159.21487451,
"energy_per_atom": -4.9754648284375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.72687451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7816316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.580000Z",
"spacegroup": 176
},
{
"id": "mp-1279644",
"created_at": "2022-09-04T14:39:27.328252Z",
"structure_string": "La4 Ti2 Cr2 O12\n1.0\n-5.713616 0.034131 -0.037009\n2.886181 -4.917756 0.032345\n0.038981 3.242066 9.008642\nLa Ti Cr O\n4 2 2 12\ndirect\n0.121939 0.241653 0.375290 La\n0.616742 0.248622 0.874670 La\n0.378397 0.758591 0.125182 La\n0.883106 0.751210 0.625369 La\n0.995441 0.004522 0.001444 Ti\n0.504554 0.995434 0.498541 Ti\n0.749991 0.499875 0.249892 Cr\n0.250001 0.500174 0.750147 Cr\n0.193296 0.243102 0.876374 O\n0.693807 0.230509 0.363938 O\n0.019398 0.684419 0.881486 O\n0.552386 0.666994 0.376616 O\n0.619242 0.838009 0.887383 O\n0.125089 0.817595 0.376474 O\n0.480277 0.315837 0.618123 O\n0.947746 0.332966 0.123262 O\n0.880486 0.161948 0.612840 O\n0.375030 0.182088 0.123283 O\n0.306590 0.757069 0.623741 O\n0.806483 0.769383 0.135945 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Ti",
"density": 6.230462157561269,
"density_atomic": 0.07921271195570831,
"volume": 252.4847275924977,
"volume_molar": 7.602492846561386,
"formula_full": "La4 Ti2 Cr2 O12",
"formula_reduced": "La2TiCrO6",
"formula_anonymous": "ABC2D6",
"energy": -182.21305463,
"energy_per_atom": -9.1106527315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.97105463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9953911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.892000Z",
"spacegroup": 2
}
]
}