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{
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{
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{
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"id": "mp-1194016",
"created_at": "2022-09-04T14:45:24.704698Z",
"structure_string": "Zr2 Ge6 N4 O18\n1.0\n3.690692 -6.392467 0.000000\n3.690692 6.392467 0.000000\n0.000000 0.000000 10.699184\nZr Ge N O\n2 6 4 18\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.263025 0.389392 0.750000 Ge\n0.610608 0.873633 0.750000 Ge\n0.126367 0.736975 0.750000 Ge\n0.736975 0.610608 0.250000 Ge\n0.389392 0.126367 0.250000 Ge\n0.873633 0.263025 0.250000 Ge\n0.666667 0.333333 0.555967 N\n0.333333 0.666667 0.055967 N\n0.333333 0.666667 0.444033 N\n0.666667 0.333333 0.944033 N\n0.222196 0.233829 0.617675 O\n0.766171 0.988367 0.617675 O\n0.011633 0.777804 0.617675 O\n0.777804 0.766171 0.117675 O\n0.233829 0.011633 0.117675 O\n0.988367 0.222196 0.117675 O\n0.777804 0.766171 0.382325 O\n0.233829 0.011633 0.382325 O\n0.988367 0.222196 0.382325 O\n0.222196 0.233829 0.882325 O\n0.766171 0.988367 0.882325 O\n0.011633 0.777804 0.882325 O\n0.523233 0.600559 0.750000 O\n0.399441 0.922674 0.750000 O\n0.077326 0.476767 0.750000 O\n0.476767 0.399441 0.250000 O\n0.600559 0.077326 0.250000 O\n0.922674 0.523233 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Zr",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Zr",
"density": 3.1652239138829645,
"density_atomic": 0.0594243314573416,
"volume": 504.843710720344,
"volume_molar": 10.13413295919544,
"formula_full": "Zr2 Ge6 N4 O18",
"formula_reduced": "ZrGe3N2O9",
"formula_anonymous": "AB2C3D9",
"energy": -202.13417191,
"energy_per_atom": -6.737805730333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.76817191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0019927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.039000Z",
"spacegroup": 176
}
]
}