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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0267233,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.342000Z",
"spacegroup": 148
},
{
"id": "mp-562550",
"created_at": "2022-09-04T14:46:32.122473Z",
"structure_string": "Ag4 C4 S4 N4\n1.0\n4.221336 0.000000 0.000000\n0.000000 7.172413 0.000000\n0.000000 0.000000 11.406748\nAg C S N\n4 4 4 4\ndirect\n0.500000 0.319782 0.653093 Ag\n0.000000 0.819782 0.846907 Ag\n0.500000 0.680218 0.346907 Ag\n0.000000 0.180218 0.153093 Ag\n0.000000 0.339800 0.878186 C\n0.000000 0.660200 0.121814 C\n0.500000 0.160200 0.378186 C\n0.500000 0.839800 0.621814 C\n0.000000 0.458643 0.753749 S\n0.500000 0.041357 0.253749 S\n0.500000 0.958643 0.746251 S\n0.000000 0.541357 0.246251 S\n0.000000 0.253359 0.965942 N\n0.500000 0.246641 0.465942 N\n0.500000 0.753359 0.534058 N\n0.000000 0.746641 0.034058 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"C",
"S",
"N"
],
"chemical_system": "Ag-C-N-S",
"density": 3.191617649846176,
"density_atomic": 0.04632793312254663,
"volume": 345.3639936337502,
"volume_molar": 12.998941144363673,
"formula_full": "Ag4 C4 S4 N4",
"formula_reduced": "AgCSN",
"formula_anonymous": "ABCD",
"energy": -97.89627303,
"energy_per_atom": -6.118517064375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.44027303,
"band_gap": 2.2797,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.527000Z",
"spacegroup": 58
}
]
}