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{
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"volume_molar": 8.243951784852586,
"formula_full": "Fe1 Co8 S8",
"formula_reduced": "Fe(CoS)8",
"formula_anonymous": "AB8C8",
"energy": -110.58878318,
"energy_per_atom": -6.505222539999999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -106.56478318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0191305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.269000Z",
"spacegroup": 225
},
{
"id": "mp-1354864",
"created_at": "2022-09-04T14:40:02.996045Z",
"structure_string": "Li6 Fe4 P6 O24\n1.0\n8.489202 0.000000 0.000000\n-4.238006 7.374058 0.000000\n-0.016913 -4.856010 7.510653\nLi Fe P O\n6 4 6 24\ndirect\n0.570319 0.405505 0.664795 Li\n0.908565 0.160830 0.684118 Li\n0.061229 0.725649 0.855068 Li\n0.938771 0.274351 0.144932 Li\n0.091435 0.839170 0.315882 Li\n0.429681 0.594495 0.335205 Li\n0.687860 0.342189 0.958887 Fe\n0.718096 0.862757 0.432411 Fe\n0.281904 0.137243 0.567589 Fe\n0.312140 0.657811 0.041113 Fe\n0.495082 0.031691 0.752726 P\n0.208303 0.253790 0.255767 P\n0.204948 0.456563 0.753284 P\n0.795052 0.543437 0.246716 P\n0.791697 0.746210 0.744233 P\n0.504918 0.968309 0.247274 P\n0.650353 0.166219 0.808045 O\n0.996687 0.128411 0.259921 O\n0.296975 0.469300 0.201298 O\n0.027499 0.486917 0.782922 O\n0.159337 0.203681 0.446510 O\n0.602376 0.870824 0.281631 O\n0.372964 0.211690 0.128908 O\n0.302134 0.833855 0.897129 O\n0.138324 0.255504 0.735021 O\n0.636607 0.006313 0.582022 O\n0.422589 0.608094 0.578356 O\n0.228084 0.464542 0.915276 O\n0.771916 0.535458 0.084724 O\n0.577411 0.391906 0.421644 O\n0.363393 0.993687 0.417978 O\n0.861676 0.744496 0.264979 O\n0.697866 0.166145 0.102871 O\n0.627036 0.788310 0.871092 O\n0.397624 0.129176 0.718369 O\n0.840663 0.796319 0.553490 O\n0.972501 0.513083 0.217078 O\n0.703025 0.530700 0.798702 O\n0.003313 0.871589 0.740079 O\n0.349647 0.833781 0.191955 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.948550733628697,
"density_atomic": 0.08507635540473564,
"volume": 470.16588580584005,
"volume_molar": 7.078512862182138,
"formula_full": "Li6 Fe4 P6 O24",
"formula_reduced": "Li3Fe2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -145.18425945,
"energy_per_atom": -3.62960648625,
"energy_above_hull": null,
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"energy_uncorrected": -125.00025945000002,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.7617144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.416000Z",
"spacegroup": 2
}
]
}