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"id": "mp-1234131",
"created_at": "2022-09-04T14:42:54.293238Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.469818 0.012374 -0.612694\n2.734783 -4.662687 -0.607113\n3.794180 0.968521 -10.874753\nHf Mg N O\n8 1 8 4\ndirect\n0.051805 0.436973 0.279706 Hf\n0.160034 0.075340 0.802500 Hf\n0.354088 0.426492 0.978513 Hf\n0.536365 0.055799 0.507291 Hf\n0.251652 0.767159 0.452391 Hf\n0.759280 0.117813 0.217786 Hf\n0.626611 0.762549 0.049858 Hf\n0.941115 0.712815 0.746487 Hf\n0.691917 0.418018 0.656837 Mg\n0.355903 0.099531 0.359632 N\n0.501096 0.430773 0.121032 N\n0.360061 0.327599 0.664272 N\n0.652518 0.389119 0.377158 N\n0.495522 0.690201 0.839791 N\n0.902461 0.726701 0.130386 N\n0.164569 0.958501 0.629822 N\n0.739027 0.035553 0.893250 N\n0.193896 0.123628 0.130089 O\n0.984855 0.801172 0.348820 O\n0.027785 0.438573 0.912782 O\n0.854161 0.712741 0.583118 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"N",
"O"
],
"chemical_system": "Hf-Mg-N-O",
"density": 10.072181892686741,
"density_atomic": 0.07822862238727857,
"volume": 268.4439449289726,
"volume_molar": 7.698129631104578,
"formula_full": "Hf8 Mg1 N8 O4",
"formula_reduced": "Hf8Mg(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy": -214.81046198,
"energy_per_atom": -10.229069618095238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.17446198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.525000Z",
"spacegroup": 1
}
]
}