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{
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{
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"total_magnetization": 0.0002151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.335000Z",
"spacegroup": 227
},
{
"id": "mp-755044",
"created_at": "2022-09-04T14:40:25.804836Z",
"structure_string": "Ca2 Tb4 O8\n1.0\n0.000000 4.862100 4.862100\n4.862100 0.000000 4.862100\n4.862100 4.862100 0.000000\nCa Tb O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.625000 0.625000 0.625000 Tb\n0.625000 0.625000 0.125000 Tb\n0.387657 0.387657 0.387657 O\n0.862343 0.862343 0.412970 O\n0.837030 0.387657 0.387657 O\n0.387657 0.837030 0.387657 O\n0.862343 0.862343 0.862343 O\n0.387657 0.387657 0.837030 O\n0.412970 0.862343 0.862343 O\n0.862343 0.412970 0.862343 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Tb",
"O"
],
"chemical_system": "Ca-O-Tb",
"density": 6.095565945917854,
"density_atomic": 0.060901274240562485,
"volume": 229.88024757412197,
"volume_molar": 9.888365777392936,
"formula_full": "Ca2 Tb4 O8",
"formula_reduced": "CaTb2O4",
"formula_anonymous": "AB2C4",
"energy": -114.51715428,
"energy_per_atom": -8.179796734285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.02115428,
"band_gap": 4.0827,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.319000Z",
"spacegroup": 227
}
]
}