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{
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"density_atomic": 0.04929327378772129,
"volume": 40.573486934807526,
"volume_molar": 12.216962472271595,
"formula_full": "Zr1 Se1",
"formula_reduced": "ZrSe",
"formula_anonymous": "AB",
"energy": -15.2082557,
"energy_per_atom": -7.60412785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7362557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.571000Z",
"spacegroup": 187
},
{
"id": "mp-1097181",
"created_at": "2022-09-04T14:45:04.957520Z",
"structure_string": "Zr1 Sc1 Zn2\n1.0\n-5.629388 5.664049 8.008459\n5.629388 -5.664049 8.008459\n5.629388 5.664049 -8.008459\nZr Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250162 0.250162 Zn\n0.000000 0.749838 0.749838 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Zn"
],
"chemical_system": "Sc-Zn-Zr",
"density": 0.43407005849231683,
"density_atomic": 0.003916181925565797,
"volume": 1021.403008345199,
"volume_molar": 153.77581722355606,
"formula_full": "Zr1 Sc1 Zn2",
"formula_reduced": "ZrScZn2",
"formula_anonymous": "ABC2",
"energy": -7.61256136,
"energy_per_atom": -1.90314034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.61256136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1685739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.111000Z",
"spacegroup": 71
}
]
}