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{
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{
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"structure_string": "Ca1 Eu1 Zr1 W1 O6\n1.0\n0.000000 -4.115576 -4.115576\n4.115576 0.000000 -4.115576\n4.115576 -4.115576 0.000000\nCa Eu Zr W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 W\n0.747245 0.252755 0.252755 O\n0.252755 0.747245 0.747245 O\n0.747245 0.252755 0.747245 O\n0.252755 0.747245 0.252755 O\n0.747245 0.747245 0.252755 O\n0.252755 0.252755 0.747245 O\n",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.21085976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9992326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.008000Z",
"spacegroup": 107
},
{
"id": "mp-1175161",
"created_at": "2022-09-04T14:47:03.070709Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n4.960710 -0.045747 -1.139365\n-1.859211 14.803594 -0.930315\n-0.253051 -0.152126 5.951579\nLi Mn Co O\n14 8 2 24\ndirect\n0.916726 0.416653 0.833274 Li\n0.416621 0.916697 0.833285 Li\n0.916707 0.416641 0.333349 Li\n0.416655 0.916696 0.333299 Li\n0.166649 0.166672 0.833360 Li\n0.666660 0.666677 0.833352 Li\n0.594232 0.090753 0.177198 Li\n0.094190 0.590754 0.177183 Li\n0.739134 0.242585 0.489491 Li\n0.239111 0.742591 0.489483 Li\n0.575942 0.088476 0.670738 Li\n0.075915 0.588462 0.670741 Li\n0.757422 0.244838 0.995930 Li\n0.257367 0.744854 0.995902 Li\n0.006041 0.003638 0.004256 Mn\n0.505829 0.503503 0.004150 Mn\n0.327364 0.329673 0.662399 Mn\n0.827518 0.829819 0.662547 Mn\n0.002191 0.003317 0.504074 Mn\n0.502067 0.503241 0.504037 Mn\n0.331251 0.330012 0.162639 Mn\n0.831228 0.830096 0.162736 Mn\n0.666647 0.666683 0.333317 Co\n0.166651 0.166668 0.333309 Co\n0.256245 0.033694 0.810568 O\n0.756175 0.533616 0.810572 O\n0.077093 0.299630 0.856126 O\n0.577003 0.799716 0.856103 O\n0.278463 0.046817 0.355253 O\n0.778500 0.546834 0.355286 O\n0.054916 0.286532 0.311425 O\n0.554766 0.786524 0.311395 O\n0.438002 0.213287 0.175071 O\n0.937916 0.713351 0.175109 O\n0.895341 0.120040 0.491632 O\n0.395341 0.620009 0.491567 O\n0.434009 0.212247 0.642699 O\n0.933753 0.712340 0.642501 O\n0.899345 0.121039 0.023969 O\n0.399523 0.620992 0.024145 O\n0.591232 0.376189 0.481785 O\n0.091158 0.876260 0.481783 O\n0.242224 0.457095 0.184853 O\n0.742189 0.957175 0.184859 O\n0.609553 0.378954 0.017625 O\n0.109480 0.879033 0.017607 O\n0.223834 0.454262 0.649017 O\n0.723819 0.954363 0.649001 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9988620766718523,
"density_atomic": 0.11130364125281123,
"volume": 431.25273764381586,
"volume_molar": 5.410551435888353,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -332.20251263,
"energy_per_atom": -6.920885679791667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.09451263,
"band_gap": 0.7740999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.8692213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.573000Z",
"spacegroup": 2
}
]
}