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{
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{
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"nelements": 5,
"elements": [
"K",
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-K-La-Mn-O",
"density": 4.935285691769831,
"density_atomic": 0.0637426601444477,
"volume": 627.5232302724065,
"volume_molar": 9.447583057175814,
"formula_full": "K4 Ba4 La4 Mn4 O24",
"formula_reduced": "KBaLaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -282.12899768,
"energy_per_atom": -7.053224942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.96899768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.018000Z",
"spacegroup": 48
},
{
"id": "mp-1516478",
"created_at": "2022-09-04T14:42:06.379179Z",
"structure_string": "K1 Sr1 Nd1 Fe1 O6\n1.0\n0.000000 -4.172939 -4.172939\n4.172939 -0.000000 -4.172939\n4.172939 -4.172939 -0.000000\nK Sr Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.000000 -0.000000 Fe\n0.775013 0.224987 0.224987 O\n0.224987 0.775013 0.775013 O\n0.775013 0.224987 0.775013 O\n0.224987 0.775013 0.224987 O\n0.775013 0.775013 0.224987 O\n0.224987 0.224987 0.775013 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"Fe",
"O"
],
"chemical_system": "Fe-K-Nd-O-Sr",
"density": 4.830918579362122,
"density_atomic": 0.06880878599842827,
"volume": 145.33027802915197,
"volume_molar": 8.751993909814885,
"formula_full": "K1 Sr1 Nd1 Fe1 O6",
"formula_reduced": "KSrNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.69022171,
"energy_per_atom": -6.7690221710000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.31222171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.835000Z",
"spacegroup": 216
}
]
}