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{
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"id": "mp-1368521",
"created_at": "2022-09-04T14:41:53.820212Z",
"structure_string": "Ta2 Zn4 Sn2 O12\n1.0\n7.899177 0.000000 0.000000\n0.000000 5.490908 0.000000\n0.000000 0.189391 5.492327\nTa Zn Sn O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.750000 0.019703 0.010691 Zn\n0.750000 0.489978 0.527790 Zn\n0.250000 0.510022 0.472210 Zn\n0.250000 0.980297 0.989309 Zn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.434539 0.143845 0.178560 O\n0.570141 0.689963 0.348524 O\n0.565461 0.856155 0.821440 O\n0.070141 0.310037 0.651476 O\n0.250000 0.875142 0.569607 O\n0.429859 0.310037 0.651476 O\n0.929859 0.689963 0.348524 O\n0.065461 0.143845 0.178560 O\n0.750000 0.381337 0.903839 O\n0.934539 0.856155 0.821440 O\n0.250000 0.618663 0.096161 O\n0.750000 0.124858 0.430393 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ta",
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ta-Zn",
"density": 7.339596821459502,
"density_atomic": 0.08395519930460978,
"volume": 238.22229195639406,
"volume_molar": 7.173040871656104,
"formula_full": "Ta2 Zn4 Sn2 O12",
"formula_reduced": "TaZn2SnO6",
"formula_anonymous": "ABC2D6",
"energy": -140.04002042,
"energy_per_atom": -7.002001021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.79602042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.460000Z",
"spacegroup": 11
}
]
}