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"nsites": 248,
"nelements": 6,
"elements": [
"Re",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Re-S",
"density": 2.2203171893955416,
"density_atomic": 0.06607861456164282,
"volume": 3753.105322277119,
"volume_molar": 9.113600216878217,
"formula_full": "Re8 H96 C24 S24 N48 Cl48",
"formula_reduced": "ReH12C3S3(NCl)6",
"formula_anonymous": "AB3C3D6E6F12",
"energy": -1383.39971652,
"energy_per_atom": -5.578224663387097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1324.52771652,
"band_gap": 1.0428,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0001263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.828000Z",
"spacegroup": 61
},
{
"id": "mp-1199218",
"created_at": "2022-09-04T14:47:40.290822Z",
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{
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"nsites": 248,
"nelements": 5,
"elements": [
"In",
"Si",
"H",
"C",
"O"
],
"chemical_system": "C-H-In-O-Si",
"density": 1.0925210048467735,
"density_atomic": 0.08779114396484557,
"volume": 2824.886301735711,
"volume_molar": 6.859622153245276,
"formula_full": "In4 Si16 H164 C60 O4",
"formula_reduced": "InSi4H41C15O",
"formula_anonymous": "ABC4D15E41",
"energy": -1283.16206699,
"energy_per_atom": -5.174040592701613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1280.41406699,
"band_gap": 3.5755,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0149479,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.536000Z",
"spacegroup": 14
},
{
"id": "mp-1202845",
"created_at": "2022-09-04T14:44:19.427902Z",
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"elements": [
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"formation_energy": null,
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"band_gap": 5.6766,
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"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.810000Z",
"spacegroup": 14
},
{
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"updated_at": "2021-11-28T01:37:39.977000Z",
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},
{
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{
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]
}