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"formula_full": "Co2 Rh4 S8",
"formula_reduced": "Co(RhS2)2",
"formula_anonymous": "AB2C4",
"energy": -86.77673338,
"energy_per_atom": -6.198338098571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.75273338,
"band_gap": 0.0381999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003647,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.427000Z",
"spacegroup": 227
},
{
"id": "mp-546936",
"created_at": "2022-09-04T14:39:36.723064Z",
"structure_string": "Co2 Rh4 O8\n1.0\n0.000009 -0.000003 6.102319\n5.284737 -0.000023 -3.051158\n1.761616 4.982498 3.051156\nCo Rh O\n2 4 8\ndirect\n0.749999 0.874999 0.875000 Co\n0.250000 0.125002 0.124999 Co\n0.499987 0.500007 0.500007 Rh\n0.000014 0.500007 0.999978 Rh\n0.000015 0.500007 0.500009 Rh\n0.499984 0.999978 0.500008 Rh\n0.480304 0.740153 0.740151 O\n0.480304 0.740153 0.279544 O\n0.019695 0.740151 0.740153 O\n0.980251 0.259874 0.259874 O\n0.519751 0.259877 0.259875 O\n0.019698 0.279544 0.740151 O\n0.519750 0.259875 0.720375 O\n0.980250 0.720375 0.259876 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Rh",
"O"
],
"chemical_system": "Co-O-Rh",
"density": 6.7946545897058845,
"density_atomic": 0.08712873414300905,
"volume": 160.68177895275113,
"volume_molar": 6.911773503004806,
"formula_full": "Co2 Rh4 O8",
"formula_reduced": "Co(RhO2)2",
"formula_anonymous": "AB2C4",
"energy": -99.6087983,
"energy_per_atom": -7.1149141642857145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.8367983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.063000Z",
"spacegroup": 227
}
]
}