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"spacegroup": 221
},
{
"id": "mp-866291",
"created_at": "2022-09-04T14:45:19.321105Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 3.164857 3.164857\n3.164857 0.000000 3.164857\n3.164857 3.164857 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 Br\n",
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"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Ag-Br",
"density": 4.917995433683658,
"density_atomic": 0.031545522467026736,
"volume": 63.40043985927066,
"volume_molar": 19.090318653922125,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy": -5.73811555,
"energy_per_atom": -2.869057775,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -5.20411555,
"band_gap": 1.1708,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.380000Z",
"spacegroup": 216
},
{
"id": "mp-1060967",
"created_at": "2022-09-04T14:44:11.656243Z",
"structure_string": "Ag1 Br1\n1.0\n3.604067 0.000000 0.000000\n0.000000 3.604067 0.000000\n0.000000 0.000000 3.604067\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Ag-Br",
"density": 6.6604231893666155,
"density_atomic": 0.042721985449811054,
"volume": 46.814303664551375,
"volume_molar": 14.09611631246561,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy": -5.2948371,
"energy_per_atom": -2.64741855,
"energy_above_hull": null,
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"energy_uncorrected": -4.7608371,
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"total_magnetization": 0.0004218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.389000Z",
"spacegroup": 221
}
]
}