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"structure_string": "Li2 Ag4 F8\n1.0\n-2.917389 2.917389 6.079233\n2.917389 -2.917389 6.079233\n2.917389 2.917389 -6.079233\nLi Ag F\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.375000 0.125000 0.750000 Ag\n0.375000 0.625000 0.250000 Ag\n0.875000 0.625000 0.250000 Ag\n0.375000 0.625000 0.750000 Ag\n0.011293 0.036734 0.593800 F\n0.307066 0.832507 0.093800 F\n0.963266 0.557066 0.974559 F\n0.167493 0.261293 0.474559 F\n0.582507 0.988707 0.025441 F\n0.786734 0.692934 0.525441 F\n0.442934 0.417493 0.406200 F\n0.738707 0.213266 0.906200 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.792638864640588,
"density_atomic": 0.06764420127643668,
"volume": 206.96526436593152,
"volume_molar": 8.90267110315894,
"formula_full": "Li2 Ag4 F8",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
"energy": -55.5046128,
"energy_per_atom": -3.9646152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.8086128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.164000Z",
"spacegroup": 88
},
{
"id": "mp-1216460",
"created_at": "2022-09-04T14:44:04.220087Z",
"structure_string": "V6 Co1 Ir1\n1.0\n4.720684 0.000000 0.000000\n0.000000 4.720684 0.000000\n0.000000 0.000000 4.720684\nV Co Ir\n6 1 1\ndirect\n0.000000 0.500000 0.745669 V\n0.500000 0.254331 0.000000 V\n0.745669 0.000000 0.500000 V\n0.000000 0.500000 0.254331 V\n0.500000 0.745669 0.000000 V\n0.254331 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Co",
"Ir"
],
"chemical_system": "Co-Ir-V",
"density": 8.788867279943513,
"density_atomic": 0.07604579370711033,
"volume": 105.19976990196099,
"volume_molar": 7.919097778365256,
"formula_full": "V6 Co1 Ir1",
"formula_reduced": "V6CoIr",
"formula_anonymous": "ABC6",
"energy": -73.14100505,
"energy_per_atom": -9.14262563125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.14100505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.844000Z",
"spacegroup": 200
}
]
}