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{
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{
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{
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"density": 3.434217717144089,
"density_atomic": 0.08923968772625505,
"volume": 224.11553098830302,
"volume_molar": 6.748276370568513,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -131.78609782,
"energy_per_atom": -6.589304891,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -118.67009782,
"band_gap": 1.8143,
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"updated_at": "2021-11-28T01:35:12.339000Z",
"spacegroup": 2
},
{
"id": "mp-1234667",
"created_at": "2022-09-04T14:41:32.941042Z",
"structure_string": "Mg1 V12 B4 O20\n1.0\n0.000000 -0.000000 3.192357\n9.700945 -0.046905 -0.000001\n-0.062495 12.938644 0.000001\nMg V B O\n1 12 4 20\ndirect\n0.000000 0.496625 0.861591 Mg\n0.499999 0.005977 0.225356 V\n0.500000 0.995169 0.774416 V\n0.500000 0.492813 0.695851 V\n0.500000 0.507418 0.281403 V\n0.500000 0.001103 0.498431 V\n0.500000 0.487774 0.031077 V\n0.000000 0.246175 0.388803 V\n0.000000 0.759706 0.603625 V\n1.000000 0.232209 0.890798 V\n1.000000 0.751529 0.117295 V\n1.000000 0.992884 0.005233 V\n0.000000 0.502352 0.490944 V\n1.000000 0.271666 0.146149 B\n0.000000 0.735020 0.858864 B\n0.000000 0.220306 0.638338 B\n1.000000 0.779245 0.358644 B\n1.000000 0.343115 0.049341 O\n0.000000 0.657713 0.952377 O\n0.000000 0.153262 0.543989 O\n0.000000 0.849860 0.452782 O\n1.000000 0.129597 0.144774 O\n0.000000 0.873628 0.857258 O\n0.000000 0.367758 0.639243 O\n1.000000 0.634263 0.355667 O\n0.500000 0.119616 0.362597 O\n0.500000 0.885679 0.636335 O\n0.500000 0.388712 0.858380 O\n0.500000 0.620803 0.145851 O\n1.000000 0.349522 0.236324 O\n0.000000 0.651601 0.765765 O\n0.000000 0.149781 0.731793 O\n1.000000 0.853216 0.266454 O\n0.500000 0.392816 0.420475 O\n0.500000 0.609211 0.567742 O\n0.500000 0.098187 0.924043 O\n0.500000 0.893687 0.081365 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"V",
"B",
"O"
],
"chemical_system": "B-Mg-O-V",
"density": 4.1394127567479115,
"density_atomic": 0.09234164530269134,
"volume": 400.68595137888036,
"volume_molar": 6.521587026373335,
"formula_full": "Mg1 V12 B4 O20",
"formula_reduced": "MgV12(BO5)4",
"formula_anonymous": "AB4C12D20",
"energy": -322.22789688,
"energy_per_atom": -8.708862077837837,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -288.08789688,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 34.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.878000Z",
"spacegroup": 6
}
]
}