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"id": "mp-723002",
"created_at": "2022-09-04T14:43:20.040422Z",
"structure_string": "Ag4 H24 S2 N8 O8\n1.0\n8.582822 0.000000 0.000000\n0.000000 8.582822 0.000000\n0.000000 0.000000 6.450470\nAg H S N O\n4 24 2 8 8\ndirect\n0.500000 0.000000 0.985143 Ag\n0.000000 0.500000 0.514857 Ag\n0.000000 0.500000 0.014857 Ag\n0.500000 0.000000 0.485143 Ag\n0.584753 0.702082 0.880227 H\n0.915247 0.202082 0.619773 H\n0.415247 0.297918 0.880227 H\n0.084753 0.797918 0.619773 H\n0.297918 0.584753 0.119773 H\n0.797918 0.915247 0.380227 H\n0.702082 0.415247 0.119773 H\n0.202082 0.084753 0.380227 H\n0.718571 0.787555 0.029174 H\n0.781429 0.287555 0.470826 H\n0.281429 0.212445 0.029174 H\n0.218571 0.712445 0.470826 H\n0.212445 0.718571 0.970826 H\n0.712445 0.781429 0.529174 H\n0.787555 0.281429 0.970826 H\n0.287555 0.218571 0.529174 H\n0.555658 0.716597 0.136532 H\n0.944342 0.216597 0.363468 H\n0.444342 0.283403 0.136532 H\n0.055658 0.783403 0.363468 H\n0.283403 0.555658 0.863468 H\n0.783403 0.944342 0.636532 H\n0.716597 0.444342 0.863468 H\n0.216597 0.055658 0.636532 H\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.600489 0.772344 0.007967 N\n0.899511 0.272344 0.492033 N\n0.399511 0.227656 0.007967 N\n0.100489 0.727656 0.492033 N\n0.227656 0.600489 0.992033 N\n0.727656 0.899511 0.507967 N\n0.772344 0.399511 0.992033 N\n0.272344 0.100489 0.507967 N\n0.627241 0.565063 0.633443 O\n0.872759 0.065063 0.866557 O\n0.372759 0.434937 0.633443 O\n0.127241 0.934937 0.866557 O\n0.434937 0.627241 0.366557 O\n0.934937 0.872759 0.133443 O\n0.565063 0.372759 0.366557 O\n0.065063 0.127241 0.133443 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Ag",
"H",
"S",
"N",
"O"
],
"chemical_system": "Ag-H-N-O-S",
"density": 2.655344740414612,
"density_atomic": 0.09680688825385968,
"volume": 475.1727984414992,
"volume_molar": 6.22077712508221,
"formula_full": "Ag4 H24 S2 N8 O8",
"formula_reduced": "Ag2H12S(NO)4",
"formula_anonymous": "AB2C4D4E12",
"energy": -243.28540303,
"energy_per_atom": -5.288813109347826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.90140303,
"band_gap": 2.9412000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.239000Z",
"spacegroup": 114
}
]
}