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"volume_molar": 7.725465354368456,
"formula_full": "Ca1 Eu1 Ti1 Sn1 O6",
"formula_reduced": "CaEuTiSnO6",
"formula_anonymous": "ABCDE6",
"energy": -83.95106841,
"energy_per_atom": -8.395106841,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.82906841,
"band_gap": 0.2858999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0010135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.760000Z",
"spacegroup": 216
},
{
"id": "mp-1520835",
"created_at": "2022-09-04T14:40:04.602046Z",
"structure_string": "Ba4 Ca4 Eu4 Sb4 O24\n1.0\n8.472638 0.000000 0.000000\n0.000000 8.407825 0.000000\n0.000000 0.000000 8.451539\nBa Ca Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.750000 0.250000 0.250000 Ca\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 -0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.017821 0.195739 0.283907 O\n0.982179 0.804261 0.283907 O\n0.982179 0.195739 0.716093 O\n0.017821 0.804261 0.716093 O\n0.302870 0.017885 0.208480 O\n0.302870 0.982115 0.791520 O\n0.697130 0.982115 0.208480 O\n0.697130 0.017885 0.791520 O\n0.228311 0.280793 0.016291 O\n0.771689 0.280793 0.983709 O\n0.228311 0.719207 0.983709 O\n0.771689 0.719207 0.016291 O\n0.482179 0.304261 0.216093 O\n0.517821 0.695739 0.216093 O\n0.517821 0.304261 0.783907 O\n0.482179 0.695739 0.783907 O\n0.197130 0.482115 0.291520 O\n0.197130 0.517885 0.708480 O\n0.802870 0.517885 0.291520 O\n0.802870 0.482115 0.708480 O\n0.271689 0.219207 0.483709 O\n0.728311 0.219207 0.516291 O\n0.271689 0.780793 0.516291 O\n0.728311 0.780793 0.483709 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-Sb",
"density": 6.03611980504662,
"density_atomic": 0.06643881479963534,
"volume": 602.0576995635922,
"volume_molar": 9.064190531034356,
"formula_full": "Ba4 Ca4 Eu4 Sb4 O24",
"formula_reduced": "BaCaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -305.18659724,
"energy_per_atom": -7.629664931000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.69859724,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 24.0000043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.686000Z",
"spacegroup": 48
}
]
}