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"id": "mp-1219349",
"created_at": "2022-09-04T14:47:37.373747Z",
"structure_string": "Si6 Au20\n1.0\n-4.888135 4.888135 4.888135\n4.888135 -4.888135 4.888135\n4.888135 4.888135 -4.888135\nSi Au\n6 20\ndirect\n0.697382 0.697382 0.000000 Si\n0.000000 0.697382 0.697382 Si\n0.697382 0.000000 0.697382 Si\n0.302618 0.302618 0.000000 Si\n0.000000 0.302618 0.302618 Si\n0.302618 0.000000 0.302618 Si\n0.605392 0.293432 0.605392 Au\n0.605392 0.605392 0.293432 Au\n0.293432 0.605392 0.605392 Au\n0.311960 0.706568 0.311960 Au\n0.688040 0.394608 0.000000 Au\n0.000000 0.394608 0.688040 Au\n0.394608 0.000000 0.688040 Au\n0.394608 0.688040 0.000000 Au\n0.706568 0.311960 0.311960 Au\n0.688040 0.000000 0.394608 Au\n0.311960 0.311960 0.706568 Au\n0.000000 0.688040 0.394608 Au\n0.692882 0.692882 0.692882 Au\n0.000000 0.307118 0.000000 Au\n0.307118 0.000000 0.000000 Au\n0.000000 0.000000 0.307118 Au\n0.322365 0.322365 0.322365 Au\n0.000000 0.677635 0.000000 Au\n0.677635 0.000000 0.000000 Au\n0.000000 0.000000 0.677635 Au\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Si",
"Au"
],
"chemical_system": "Au-Si",
"density": 14.600694486627471,
"density_atomic": 0.05565238508348564,
"volume": 467.1857272782955,
"volume_molar": 10.820993118203333,
"formula_full": "Si6 Au20",
"formula_reduced": "Si3Au10",
"formula_anonymous": "A3B10",
"energy": -96.77830474,
"energy_per_atom": -3.7222424899999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.77830474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.126000Z",
"spacegroup": 217
}
]
}