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"energy": -291.20920588,
"energy_per_atom": -8.089144607777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.72120588,
"band_gap": 4.0358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.308000Z",
"spacegroup": 167
},
{
"id": "mp-779073",
"created_at": "2022-09-04T14:46:27.113936Z",
"structure_string": "Li6 Mn6 F18\n1.0\n11.770353 -2.987523 0.000000\n11.770353 2.987523 0.000000\n11.012067 0.000000 5.118680\nLi Mn F\n6 6 18\ndirect\n0.563981 0.936019 0.250000 Li\n0.250000 0.563981 0.936019 Li\n0.063981 0.750000 0.436019 Li\n0.936019 0.250000 0.563981 Li\n0.750000 0.436019 0.063981 Li\n0.436019 0.063981 0.750000 Li\n0.500000 0.500000 0.500000 Mn\n0.155763 0.155763 0.155763 Mn\n0.344237 0.344237 0.344237 Mn\n0.655763 0.655763 0.655763 Mn\n0.844237 0.844237 0.844237 Mn\n0.000000 0.000000 0.000000 Mn\n0.500241 0.866052 0.208887 F\n0.633948 0.999759 0.291113 F\n0.591593 0.591593 0.591593 F\n0.000241 0.708887 0.366052 F\n0.133948 0.791113 0.499759 F\n0.208887 0.500241 0.866052 F\n0.250000 0.250000 0.250000 F\n0.291113 0.633948 0.999759 F\n0.091593 0.091593 0.091593 F\n0.908407 0.908407 0.908407 F\n0.708887 0.366052 0.000241 F\n0.750000 0.750000 0.750000 F\n0.791113 0.499759 0.133948 F\n0.866052 0.208887 0.500241 F\n0.999759 0.291113 0.633948 F\n0.408407 0.408407 0.408407 F\n0.366052 0.000241 0.708887 F\n0.499759 0.133948 0.791113 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2900267847929627,
"density_atomic": 0.08333597748187437,
"volume": 359.9885776407317,
"volume_molar": 7.226339621815583,
"formula_full": "Li6 Mn6 F18",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -190.64300351,
"energy_per_atom": -6.354766783666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.31900351,
"band_gap": 3.2825,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 29.9970997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.621000Z",
"spacegroup": 167
}
]
}