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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -74.45008932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0005217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.647000Z",
"spacegroup": 227
},
{
"id": "mp-1327259",
"created_at": "2022-09-04T14:48:29.686510Z",
"structure_string": "Mg12 Cr8 Ge12 O48\n1.0\n-6.029049 6.029049 6.029049\n6.029049 -6.029049 6.029049\n6.029049 6.029049 -6.029049\nMg Cr Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.418188 0.818245 0.790716 O\n0.872527 0.400056 0.081812 O\n0.099944 0.972471 0.681755 O\n0.527529 0.627473 0.709284 O\n0.681755 0.081812 0.709284 O\n0.627473 0.709284 0.527529 O\n0.627473 0.418188 0.099944 O\n0.709284 0.527529 0.627473 O\n0.818245 0.527529 0.400056 O\n0.972471 0.790716 0.872527 O\n0.790716 0.872527 0.972471 O\n0.709284 0.681755 0.081812 O\n0.418188 0.099944 0.627473 O\n0.400056 0.818245 0.527529 O\n0.081812 0.709284 0.681755 O\n0.099944 0.627473 0.418188 O\n0.527529 0.400056 0.818245 O\n0.081812 0.872527 0.400056 O\n0.972471 0.681755 0.099944 O\n0.181755 0.472471 0.599944 O\n0.681755 0.099944 0.972471 O\n0.790716 0.418188 0.818245 O\n0.400056 0.081812 0.872527 O\n0.872527 0.972471 0.790716 O\n0.581812 0.181755 0.209284 O\n0.127473 0.599944 0.918188 O\n0.900056 0.027529 0.318245 O\n0.472471 0.372527 0.290716 O\n0.318245 0.918188 0.290716 O\n0.372527 0.290716 0.472471 O\n0.372527 0.581812 0.900056 O\n0.290716 0.472471 0.372527 O\n0.127473 0.027529 0.209284 O\n0.599944 0.918188 0.127473 O\n0.209284 0.581812 0.181755 O\n0.181755 0.209284 0.581812 O\n0.318245 0.900056 0.027529 O\n0.027529 0.318245 0.900056 O\n0.918188 0.127473 0.599944 O\n0.472471 0.599944 0.181755 O\n0.900056 0.372527 0.581812 O\n0.918188 0.290716 0.318245 O\n0.599944 0.181755 0.472471 O\n0.581812 0.900056 0.372527 O\n0.290716 0.318245 0.918188 O\n0.209284 0.127473 0.027529 O\n0.027529 0.209284 0.127473 O\n0.818245 0.790716 0.418188 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Ge",
"O"
],
"chemical_system": "Cr-Ge-Mg-O",
"density": 4.446390114939101,
"density_atomic": 0.0912606494505618,
"volume": 876.6100228482159,
"volume_molar": 6.598836186523466,
"formula_full": "Mg12 Cr8 Ge12 O48",
"formula_reduced": "Mg3Cr2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -586.66564349,
"energy_per_atom": -7.333320543625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -537.69764349,
"band_gap": 2.9909,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.000168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:38.568000Z",
"spacegroup": 230
}
]
}