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"id": "mp-1247135",
"created_at": "2022-09-04T14:45:02.797326Z",
"structure_string": "Si14 Ge2 N20\n1.0\n6.961230 0.000000 -0.034563\n0.000000 6.750121 0.000000\n-2.732177 0.000000 9.388413\nSi Ge N\n14 2 20\ndirect\n0.540360 0.973101 0.827980 Si\n0.540360 0.026899 0.327980 Si\n0.357055 0.032449 0.016663 Si\n0.357055 0.967551 0.516663 Si\n0.097652 0.407216 0.075530 Si\n0.097652 0.592784 0.575530 Si\n0.660343 0.368781 0.991440 Si\n0.660343 0.631219 0.491440 Si\n0.840144 0.620928 0.803909 Si\n0.840144 0.379072 0.303909 Si\n0.288605 0.613905 0.883122 Si\n0.288605 0.386095 0.383122 Si\n0.477675 0.373259 0.687783 Si\n0.477675 0.626741 0.187783 Si\n0.094711 0.019624 0.682343 Ge\n0.094711 0.980376 0.182343 Ge\n0.724791 0.831901 0.818465 N\n0.724791 0.168099 0.318465 N\n0.552124 0.138483 0.968429 N\n0.552124 0.861517 0.468429 N\n0.310213 0.872288 0.863548 N\n0.310213 0.127712 0.363548 N\n0.165081 0.166661 0.045031 N\n0.165081 0.833339 0.545031 N\n0.280581 0.499430 0.724406 N\n0.280581 0.500570 0.224406 N\n0.417272 0.116574 0.671443 N\n0.417272 0.883426 0.171443 N\n0.879951 0.388881 0.129847 N\n0.879951 0.611119 0.629847 N\n0.071554 0.570501 0.931943 N\n0.071554 0.429499 0.431943 N\n0.694261 0.414289 0.823778 N\n0.694261 0.585711 0.323778 N\n0.489926 0.539849 0.023640 N\n0.489926 0.460151 0.523640 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Si",
"Ge",
"N"
],
"chemical_system": "Ge-N-Si",
"density": 3.0857797060618704,
"density_atomic": 0.08172233100024362,
"volume": 440.51606897865753,
"volume_molar": 7.36902715119818,
"formula_full": "Si14 Ge2 N20",
"formula_reduced": "Si7GeN10",
"formula_anonymous": "AB7C10",
"energy": -290.72894628,
"energy_per_atom": -8.075804063333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.50894628,
"band_gap": 2.941,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.765000Z",
"spacegroup": 7
}
]
}