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"energy": -83.37174927999999,
"energy_per_atom": -8.337174928,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.81174928,
"band_gap": 0.2325999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.728000Z",
"spacegroup": 216
},
{
"id": "mp-1520256",
"created_at": "2022-09-04T14:42:24.991344Z",
"structure_string": "K4 Ca4 Nd4 W4 O24\n1.0\n8.475391 0.000000 0.000000\n0.000000 8.431735 0.000000\n0.000000 0.000000 8.420214\nK Ca Nd W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ca\n-0.000000 0.000000 0.500000 Ca\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.022137 0.202900 0.281864 O\n0.977863 0.797100 0.281864 O\n0.977863 0.202900 0.718136 O\n0.022137 0.797100 0.718136 O\n0.271524 0.023375 0.216955 O\n0.271524 0.976625 0.783045 O\n0.728476 0.976625 0.216955 O\n0.728476 0.023375 0.783045 O\n0.216862 0.274429 0.023012 O\n0.783138 0.274429 0.976988 O\n0.216862 0.725571 0.976988 O\n0.783138 0.725571 0.023012 O\n0.477863 0.297100 0.218136 O\n0.522137 0.702900 0.218136 O\n0.522137 0.297100 0.781864 O\n0.477863 0.702900 0.781864 O\n0.228476 0.476625 0.283045 O\n0.228476 0.523375 0.716955 O\n0.771524 0.523375 0.283045 O\n0.771524 0.476625 0.716955 O\n0.283138 0.225571 0.476988 O\n0.716862 0.225571 0.523012 O\n0.283138 0.774429 0.523012 O\n0.716862 0.774429 0.476988 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ca",
"Nd",
"W",
"O"
],
"chemical_system": "Ca-K-Nd-O-W",
"density": 5.555166849440895,
"density_atomic": 0.06647527926550867,
"volume": 601.7274457808014,
"volume_molar": 9.059218444118136,
"formula_full": "K4 Ca4 Nd4 W4 O24",
"formula_reduced": "KCaNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -314.89013923,
"energy_per_atom": -7.8722534807499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.65013923,
"band_gap": 2.8502,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.642000Z",
"spacegroup": 48
}
]
}