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"created_at": "2022-09-04T14:41:54.928035Z",
"structure_string": "La2 Mg2 Cr2 Co2 O12\n1.0\n5.375557 0.000000 0.000000\n0.000000 5.310504 0.000000\n0.000000 5.253442 7.785739\nLa Mg Cr Co O\n2 2 2 2 12\ndirect\n0.283032 0.751872 0.247056 La\n0.716968 0.751872 0.747056 La\n0.804776 0.235789 0.244668 Mg\n0.195224 0.235789 0.744668 Mg\n0.243907 0.990425 0.498327 Cr\n0.756093 0.990425 0.998327 Cr\n0.254762 0.488756 0.001145 Co\n0.745238 0.488756 0.501145 Co\n0.805779 0.319079 0.754814 O\n0.009507 0.166678 0.057377 O\n0.024710 0.770817 0.454279 O\n0.548818 0.260526 0.055511 O\n0.549709 0.888987 0.440851 O\n0.272060 0.627068 0.745975 O\n0.194221 0.319079 0.254814 O\n0.990493 0.166678 0.557377 O\n0.975290 0.770817 0.954279 O\n0.451182 0.260526 0.555511 O\n0.450291 0.888987 0.940851 O\n0.727940 0.627068 0.245975 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-La-Mg-O",
"density": 5.530718590378426,
"density_atomic": 0.08998517036755317,
"volume": 222.25884463304405,
"volume_molar": 6.692370237675809,
"formula_full": "La2 Mg2 Cr2 Co2 O12",
"formula_reduced": "LaMgCrCoO6",
"formula_anonymous": "ABCDE6",
"energy": -154.47246342,
"energy_per_atom": -7.723623171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.95446342,
"band_gap": 0.8331,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.721000Z",
"spacegroup": 7
},
{
"id": "mp-1516667",
"created_at": "2022-09-04T14:44:01.645510Z",
"structure_string": "Ca1 Sm1 Mn1 Sn1 O6\n1.0\n0.000000 -3.990029 -3.990029\n3.990029 0.000000 -3.990029\n3.990029 -3.990029 0.000000\nCa Sm Mn Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.753669 0.246331 0.246331 O\n0.246331 0.753669 0.753669 O\n0.753669 0.246331 0.753669 O\n0.246331 0.753669 0.246331 O\n0.753669 0.753669 0.246331 O\n0.246331 0.246331 0.753669 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Sm",
"Mn",
"Sn",
"O"
],
"chemical_system": "Ca-Mn-O-Sm-Sn",
"density": 6.013490202732927,
"density_atomic": 0.07871216314774504,
"volume": 127.04516811753358,
"volume_molar": 7.6508388528165145,
"formula_full": "Ca1 Sm1 Mn1 Sn1 O6",
"formula_reduced": "CaSmMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.30608183000001,
"energy_per_atom": -7.530608183000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.51608183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.805000Z",
"spacegroup": 216
}
]
}