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{
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"density": 4.593995564162989,
"density_atomic": 0.024333977134428406,
"volume": 1315.033700542337,
"volume_molar": 24.747868902530133,
"formula_full": "K6 Nd6 I20",
"formula_reduced": "K3Nd3I10",
"formula_anonymous": "A3B3C10",
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"energy_uncorrected": -108.40834084,
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"updated_at": "2021-11-28T01:34:54.769000Z",
"spacegroup": 4
},
{
"id": "mp-1069250",
"created_at": "2022-09-04T14:40:14.336771Z",
"structure_string": "Hg1 N1 Cl3\n1.0\n4.130240 0.000000 0.000000\n0.000000 4.130240 0.000000\n0.000000 0.000000 8.011948\nHg N Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 Cl\n0.000000 0.000000 0.706638 Cl\n0.000000 0.000000 0.293362 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Hg-N",
"density": 3.8994691757749895,
"density_atomic": 0.03658316751176789,
"volume": 136.67487918840337,
"volume_molar": 16.461507216571192,
"formula_full": "Hg1 N1 Cl3",
"formula_reduced": "HgNCl3",
"formula_anonymous": "ABC3",
"energy": -11.6122232,
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"formation_energy": null,
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"energy_uncorrected": -9.7702232,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.065000Z",
"spacegroup": 123
}
]
}