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"structure_string": "Ca12 Co8 Ge12 O48\n1.0\n9.978903 -0.000000 -3.528075\n-4.989451 8.641983 -3.528075\n0.000000 0.000000 10.584225\nCa Co Ge O\n12 8 12 48\ndirect\n0.625000 0.250000 0.874999 Ca\n0.875000 0.750000 0.624999 Ca\n0.750000 0.625000 0.874999 Ca\n0.250000 0.875000 0.624999 Ca\n0.875000 0.625000 0.249999 Ca\n0.625000 0.875000 0.749999 Ca\n0.375000 0.750000 0.124999 Ca\n0.125000 0.250000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.374999 Ca\n0.125000 0.375000 0.749999 Ca\n0.375000 0.125000 0.250000 Ca\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 0.499999 Co\n0.500000 0.000000 0.499999 Co\n0.500000 0.500000 -0.000001 Co\n-0.000000 0.500000 0.499999 Co\n0.250000 0.125000 0.874999 Ge\n0.625000 0.375000 0.249999 Ge\n0.375000 0.625000 0.749999 Ge\n0.750000 0.375000 0.624999 Ge\n0.625000 0.750000 0.374999 Ge\n0.875000 0.250000 0.124999 Ge\n0.750000 0.875000 0.124999 Ge\n0.125000 0.750000 0.874999 Ge\n0.250000 0.625000 0.374999 Ge\n0.125000 0.875000 0.249999 Ge\n0.875000 0.125000 0.749999 Ge\n0.375000 0.250000 0.624999 Ge\n0.917868 0.116000 0.597761 O\n0.320106 0.902238 0.018239 O\n0.301869 0.481761 0.383999 O\n0.301869 0.320106 0.917868 O\n0.481761 0.384000 0.301868 O\n0.902238 0.384000 0.582130 O\n0.384000 0.301869 0.481760 O\n0.198131 0.116000 0.018239 O\n0.116000 0.597762 0.917868 O\n0.179894 0.198131 0.582131 O\n0.902238 0.018239 0.320105 O\n0.018239 0.320106 0.902238 O\n0.597762 0.917868 0.115999 O\n0.179894 0.481761 0.597761 O\n0.582131 0.902238 0.383999 O\n0.320106 0.917868 0.301868 O\n0.481760 0.597762 0.179893 O\n0.384000 0.582131 0.902237 O\n0.917868 0.301869 0.320105 O\n0.018239 0.198131 0.116000 O\n0.198131 0.582131 0.179893 O\n0.582131 0.179894 0.198131 O\n0.801868 0.884000 0.981759 O\n0.616000 0.698131 0.518238 O\n0.820106 0.801868 0.417868 O\n0.801868 0.417869 0.820105 O\n0.082131 0.884000 0.402237 O\n0.679894 0.097762 0.981760 O\n0.698131 0.518239 0.615999 O\n0.698131 0.679894 0.082130 O\n0.518239 0.616000 0.698130 O\n0.097762 0.616000 0.417868 O\n0.116000 0.018239 0.198131 O\n0.402238 0.820106 0.518238 O\n0.884000 0.981760 0.801867 O\n0.981760 0.801868 0.883998 O\n0.082131 0.698131 0.679893 O\n0.616000 0.417869 0.097761 O\n0.518239 0.402238 0.820105 O\n0.679894 0.082131 0.698131 O\n0.417869 0.097762 0.616000 O\n0.820106 0.518239 0.402237 O\n0.402238 0.082131 0.883999 O\n0.097762 0.981760 0.679893 O\n0.597762 0.179894 0.481760 O\n0.981760 0.679894 0.097761 O\n0.884000 0.402238 0.082130 O\n0.417869 0.820106 0.801868 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Ge",
"O"
],
"chemical_system": "Ca-Co-Ge-O",
"density": 4.715607636602344,
"density_atomic": 0.08764652758492154,
"volume": 912.7572101756941,
"volume_molar": 6.870940499228668,
"formula_full": "Ca12 Co8 Ge12 O48",
"formula_reduced": "Ca3Co2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.2053161455,
"spacegroup": 230
}
]
}