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"id": "mp-758177",
"created_at": "2022-09-04T14:40:00.125124Z",
"structure_string": "Li8 Fe10 Ni4 O24\n1.0\n8.872940 0.000000 0.000000\n0.000000 5.172420 0.000000\n0.000000 1.563717 9.640351\nLi Fe Ni O\n8 10 4 24\ndirect\n0.906305 0.008228 0.745329 Li\n0.915887 0.487134 0.256764 Li\n0.583713 0.759566 0.502976 Li\n0.589668 0.501775 0.255387 Li\n0.406305 0.991772 0.254671 Li\n0.415887 0.512866 0.743236 Li\n0.083713 0.240434 0.497024 Li\n0.089668 0.498225 0.744613 Li\n0.918414 0.254572 0.002327 Fe\n0.921872 0.747479 0.496741 Fe\n0.751451 0.991993 0.255981 Fe\n0.580242 0.241075 0.996211 Fe\n0.742860 0.511535 0.740129 Fe\n0.421872 0.252521 0.503259 Fe\n0.418414 0.745428 0.997673 Fe\n0.251451 0.008007 0.744019 Fe\n0.242860 0.488465 0.259871 Fe\n0.080242 0.758925 0.003789 Fe\n0.748516 0.245278 0.503795 Ni\n0.746857 0.753843 0.993525 Ni\n0.246857 0.246157 0.006475 Ni\n0.248516 0.754722 0.496205 Ni\n0.896470 0.121879 0.387811 O\n0.908339 0.889639 0.113479 O\n0.753952 0.148673 0.880186 O\n0.767487 0.853753 0.623527 O\n0.915771 0.612764 0.879788 O\n0.900564 0.377240 0.617835 O\n0.761724 0.643585 0.368106 O\n0.596095 0.136950 0.384065 O\n0.583579 0.884815 0.120080 O\n0.748154 0.355481 0.122830 O\n0.581925 0.598377 0.880765 O\n0.408339 0.110361 0.886521 O\n0.595316 0.383940 0.609549 O\n0.396470 0.878121 0.612189 O\n0.267487 0.146247 0.376473 O\n0.400564 0.622760 0.382165 O\n0.415771 0.387236 0.120212 O\n0.253952 0.851327 0.119814 O\n0.248154 0.644519 0.877170 O\n0.083579 0.115185 0.879920 O\n0.096095 0.863050 0.615935 O\n0.261724 0.356415 0.631894 O\n0.095316 0.616060 0.390451 O\n0.081925 0.401623 0.119235 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.626636988166857,
"density_atomic": 0.10396894999992098,
"volume": 442.43978610955446,
"volume_molar": 5.792249282121803,
"formula_full": "Li8 Fe10 Ni4 O24",
"formula_reduced": "Li4Fe5(NiO6)2",
"formula_anonymous": "A2B4C5D12",
"energy": -320.21333851,
"energy_per_atom": -6.961159532826088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.00133851,
"band_gap": 0.7066000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0001373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.463000Z",
"spacegroup": 4
}
]
}