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"nsites": 392,
"nelements": 5,
"elements": [
"Zr",
"H",
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],
"chemical_system": "C-H-I-N-Zr",
"density": 1.3474031770288606,
"density_atomic": 0.09025596462473696,
"volume": 4343.203262297884,
"volume_molar": 6.672291172155372,
"formula_full": "Zr8 H256 C80 I8 N40",
"formula_reduced": "ZrH32C10IN5",
"formula_anonymous": "ABC5D10E32",
"energy": -2120.6957053200003,
"energy_per_atom": -5.409938023775511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2103.22370532,
"band_gap": 3.1279,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.934000Z",
"spacegroup": 61
},
{
"id": "mp-4446",
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"elements": [
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"density": 4.581512626860275,
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"updated_at": "2021-11-28T01:35:54.516000Z",
"spacegroup": 205
},
{
"id": "mp-1206227",
"created_at": "2022-09-04T14:39:30.711538Z",
"structure_string": "Li1 Y3 Se6\n1.0\n-5.185292 -8.981189 0.000000\n-5.229281 9.006586 0.000000\n0.000000 0.000000 -46.243768\nLi Y Se\n1 3 6\ndirect\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 -0.000000 0.768948 Se\n-0.000000 -0.000000 0.231052 Se\n0.742371 0.757790 0.000000 Se\n0.257629 0.242210 -0.000000 Se\n0.984582 0.242210 -0.000000 Se\n0.015418 0.757790 0.000000 Se\n",
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"updated_at": "2021-11-28T01:34:29.281000Z",
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},
{
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"created_at": "2022-09-04T14:48:15.036095Z",
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{
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{
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}
]
}