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{
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"nsites": 312,
"nelements": 3,
"elements": [
"Te",
"C",
"F"
],
"chemical_system": "C-F-Te",
"density": 2.4965263969418325,
"density_atomic": 0.05965498234306339,
"volume": 5230.074467305227,
"volume_molar": 10.094950201087851,
"formula_full": "Te24 C96 F192",
"formula_reduced": "Te(CF2)4",
"formula_anonymous": "AB4C8",
"energy": -1742.14255441,
"energy_per_atom": -5.58379023849359,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1653.43855441,
"band_gap": 3.5365,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.276000Z",
"spacegroup": 228
},
{
"id": "mp-1205468",
"created_at": "2022-09-04T14:40:57.333654Z",
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"nsites": 296,
"nelements": 5,
"elements": [
"H",
"C",
"N",
"F",
"Al"
],
"chemical_system": "Al-C-F-H-N",
"density": 1.5292931760882689,
"density_atomic": 0.10608598190270076,
"volume": 2790.189567849627,
"volume_molar": 5.6766602448223065,
"formula_full": "Al8 H144 C24 N72 F48",
"formula_reduced": "AlH18C3(N3F2)3",
"formula_anonymous": "AB3C6D9E18",
"energy": -1750.5146188499998,
"energy_per_atom": -5.913900739358107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1702.34661885,
"band_gap": 5.3017,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.098000Z",
"spacegroup": 205
},
{
"id": "mp-1202078",
"created_at": "2022-09-04T14:44:25.867171Z",
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"nsites": 336,
"nelements": 6,
"elements": [
"Si",
"Bi",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "Bi-C-Cl-H-N-Si",
"density": 1.231180812606401,
"density_atomic": 0.08420896297499673,
"volume": 3990.074074416103,
"volume_molar": 7.151424916357288,
"formula_full": "Si24 Bi4 H216 C72 N16 Cl4",
"formula_reduced": "Si6BiH54C18N4Cl",
"formula_anonymous": "ABC4D6E18F54",
"energy": -1754.2271095899996,
"energy_per_atom": -5.220914016636904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1751.77110959,
"band_gap": 2.3435,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017285,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.550000Z",
"spacegroup": 15
},
{
"id": "mp-1199791",
"created_at": "2022-09-04T14:41:30.756789Z",
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"nsites": 344,
"nelements": 6,
"elements": [
"Be",
"H",
"C",
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"O"
],
"chemical_system": "Be-C-Cl-H-O-S",
"density": 1.2270542391383292,
"density_atomic": 0.08096487240324905,
"volume": 4248.756155468178,
"volume_molar": 7.437967332309829,
"formula_full": "Be8 H192 C64 S32 Cl16 O32",
"formula_reduced": "BeH24C8S4(ClO2)2",
"formula_anonymous": "AB2C4D4E8F24",
"energy": -1758.84253376,
"energy_per_atom": -5.112914342325581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1727.03453376,
"band_gap": 3.6696,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0275353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.883000Z",
"spacegroup": 61
},
{
"id": "mp-1196461",
"created_at": "2022-09-04T14:48:24.277869Z",
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"nelements": 4,
"elements": [
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],
"chemical_system": "C-H-O-V",
"density": 1.6385736710086602,
"density_atomic": 0.09117675804632684,
"volume": 3202.5705482052235,
"volume_molar": 6.604907751754185,
"formula_full": "V24 H144 C48 O76",
"formula_reduced": "V6H36C12O19",
"formula_anonymous": "A6B12C19D36",
"energy": -1783.57979016,
"energy_per_atom": -6.10814996630137,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1690.56779016,
"band_gap": 0.9051,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.978000Z",
"spacegroup": 33
},
{
"id": "mp-1195463",
"created_at": "2022-09-04T14:48:27.710816Z",
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"updated_at": "2021-11-28T01:36:41.581000Z",
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}
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}