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{
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"updated_at": "2021-11-28T01:35:43.954000Z",
"spacegroup": 2
},
{
"id": "mp-1177638",
"created_at": "2022-09-04T14:46:56.415615Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n-7.869677 0.000000 0.000000\n-0.908757 -7.902332 0.000000\n3.038376 2.855712 8.107534\nLi Mn B O\n6 8 8 24\ndirect\n0.675982 0.015567 0.727615 Li\n0.160945 0.503430 0.731330 Li\n0.421734 0.259861 0.221452 Li\n0.578266 0.740139 0.778548 Li\n0.839055 0.496570 0.268670 Li\n0.324018 0.984433 0.272385 Li\n0.033735 0.210576 0.432850 Mn\n0.469733 0.287182 0.582045 Mn\n0.786748 0.468449 0.921861 Mn\n0.278601 0.970109 0.914327 Mn\n0.721399 0.029891 0.085673 Mn\n0.213252 0.531551 0.078139 Mn\n0.530267 0.712818 0.417955 Mn\n0.966265 0.789424 0.567150 Mn\n0.467861 0.291700 0.913008 B\n0.050100 0.224539 0.109668 B\n0.707844 0.041840 0.412324 B\n0.205926 0.523004 0.407130 B\n0.794074 0.476996 0.592870 B\n0.292156 0.958160 0.587676 B\n0.949900 0.775461 0.890332 B\n0.532139 0.708300 0.086992 B\n0.021958 0.336441 0.016200 O\n0.266840 0.054722 0.480789 O\n0.328227 0.409054 0.889427 O\n0.193476 0.107964 0.121489 O\n0.590221 0.260237 0.820642 O\n0.068648 0.757737 0.800403 O\n0.224791 0.420445 0.511069 O\n0.552953 0.141158 0.376999 O\n0.065752 0.639692 0.385147 O\n0.833969 0.028147 0.331627 O\n0.330168 0.498465 0.321102 O\n0.488842 0.191483 0.017031 O\n0.511158 0.808517 0.982969 O\n0.669832 0.501535 0.678898 O\n0.166031 0.971853 0.668373 O\n0.934248 0.360308 0.614853 O\n0.447047 0.858842 0.623001 O\n0.775209 0.579555 0.488931 O\n0.931352 0.242263 0.199597 O\n0.409779 0.739763 0.179358 O\n0.806524 0.892036 0.878511 O\n0.671773 0.590946 0.110573 O\n0.733160 0.945278 0.519211 O\n0.978042 0.663559 0.983800 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1341047497829457,
"density_atomic": 0.09123403307854892,
"volume": 504.1978135549023,
"volume_molar": 6.600761313286648,
"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -370.18251054,
"energy_per_atom": -8.047445881304348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.35051054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0005615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.114000Z",
"spacegroup": 2
}
]
}