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"structure_string": "Er3 Co2 Ge4\n1.0\n2.086943 5.280205 0.000000\n-2.086943 5.280205 0.000000\n0.000000 2.418346 7.615283\nEr Co Ge\n3 2 4\ndirect\n0.376439 0.376439 0.692591 Er\n0.623561 0.623561 0.307409 Er\n0.000000 0.000000 0.000000 Er\n0.310008 0.310008 0.370338 Co\n0.689992 0.689992 0.629662 Co\n0.097266 0.097266 0.599698 Ge\n0.902734 0.902734 0.400302 Ge\n0.709524 0.709524 0.920271 Ge\n0.290476 0.290476 0.079729 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Co",
"Ge"
],
"chemical_system": "Co-Er-Ge",
"density": 9.005547716505518,
"density_atomic": 0.053624727094887026,
"volume": 167.83302195785208,
"volume_molar": 11.230156471181733,
"formula_full": "Er3 Co2 Ge4",
"formula_reduced": "Er3(CoGe2)2",
"formula_anonymous": "A2B3C4",
"energy": -52.83765697,
"energy_per_atom": -5.8708507744444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.83765697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008181,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.938000Z",
"spacegroup": 12
},
{
"id": "mp-1207429",
"created_at": "2022-09-04T14:40:39.246775Z",
"structure_string": "Zr4 Ge4 O8\n1.0\n-3.230761 3.230761 5.477349\n3.230761 -3.230761 5.477349\n3.230761 3.230761 -5.477349\nZr Ge O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Zr\n0.375000 0.625000 0.750000 Zr\n0.375000 0.625000 0.250000 Zr\n0.375000 0.125000 0.750000 Zr\n0.375000 0.125000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.875000 0.125000 0.250000 Ge\n0.875000 0.625000 0.750000 Ge\n0.173777 0.446682 0.272906 O\n0.173777 0.900871 0.727094 O\n0.196682 0.423777 0.772906 O\n0.576223 0.803318 0.227094 O\n0.650871 0.423777 0.227094 O\n0.576223 0.349129 0.772906 O\n0.553318 0.826223 0.727094 O\n0.099129 0.826223 0.272906 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Zr",
"density": 5.688804106809229,
"density_atomic": 0.06996485110824589,
"volume": 228.68625812189111,
"volume_molar": 8.60738022679826,
"formula_full": "Zr4 Ge4 O8",
"formula_reduced": "ZrGeO2",
"formula_anonymous": "ABC2",
"energy": -124.02536136,
"energy_per_atom": -7.751585085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.52936136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.061000Z",
"spacegroup": 141
}
]
}