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"structure_string": "Ag1 N1 O2\n1.0\n-1.954178 2.553671 3.167274\n1.954178 -2.553671 3.167274\n1.954178 2.553671 -3.167274\nAg N O\n1 1 2\ndirect\n0.043381 0.000000 0.043381 Ag\n0.607118 0.000000 0.607118 N\n0.643608 0.168858 0.474751 O\n0.305893 0.831142 0.474751 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 4.04146482234625,
"density_atomic": 0.06326817395089167,
"volume": 63.222940543610015,
"volume_molar": 9.518436180368262,
"formula_full": "Ag1 N1 O2",
"formula_reduced": "AgNO2",
"formula_anonymous": "ABC2",
"energy": -23.0402537,
"energy_per_atom": -5.760063425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.6662537,
"band_gap": 1.7726,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.778000Z",
"spacegroup": 44
},
{
"id": "mp-562667",
"created_at": "2022-09-04T14:39:17.827573Z",
"structure_string": "Ag6 N10 O12\n1.0\n3.083298 -6.713288 0.000000\n3.083298 6.713288 0.000000\n0.000000 0.000000 9.327696\nAg N O\n6 10 12\ndirect\n0.576490 0.576490 0.044181 Ag\n0.775545 0.047973 0.606324 Ag\n0.423510 0.423510 0.544181 Ag\n0.224455 0.952027 0.106324 Ag\n0.047973 0.775545 0.606324 Ag\n0.952027 0.224455 0.106324 Ag\n0.181783 0.181783 0.833460 N\n0.434371 0.830691 0.876158 N\n0.565629 0.169309 0.376158 N\n0.818217 0.818217 0.333460 N\n0.852283 0.852283 0.208083 N\n0.787912 0.787912 0.459496 N\n0.212088 0.212088 0.959496 N\n0.169309 0.565629 0.376158 N\n0.147717 0.147717 0.708083 N\n0.830691 0.434371 0.876158 N\n0.373459 0.773446 0.008221 O\n0.442777 0.215755 0.319341 O\n0.067410 0.622260 0.306940 O\n0.215755 0.442777 0.319341 O\n0.626541 0.226554 0.508221 O\n0.784245 0.557223 0.819341 O\n0.932590 0.377740 0.806940 O\n0.773446 0.373459 0.008221 O\n0.377740 0.932590 0.806940 O\n0.557223 0.784245 0.819341 O\n0.226554 0.626541 0.508221 O\n0.622260 0.067410 0.306940 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 4.211103783751079,
"density_atomic": 0.07251082930078251,
"volume": 386.14921757208253,
"volume_molar": 8.305160509224809,
"formula_full": "Ag6 N10 O12",
"formula_reduced": "Ag3N5O6",
"formula_anonymous": "A3B5C6",
"energy": -168.8051732,
"energy_per_atom": -6.028756185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.5611732,
"band_gap": 1.9021,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0037335,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.337000Z",
"spacegroup": 36
}
]
}