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{
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{
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{
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.46445396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.8737866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.487000Z",
"spacegroup": 187
},
{
"id": "mp-1188040",
"created_at": "2022-09-04T14:41:46.098484Z",
"structure_string": "Zr2 Cu6\n1.0\n2.827934 -4.898125 0.000000\n2.827934 4.898125 0.000000\n0.000000 0.000000 4.243634\nZr Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.151268 0.302536 0.250000 Cu\n0.697464 0.848732 0.250000 Cu\n0.151268 0.848732 0.250000 Cu\n0.848732 0.697464 0.750000 Cu\n0.302536 0.151268 0.750000 Cu\n0.848732 0.151268 0.750000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.962484002987549,
"density_atomic": 0.06804918645551396,
"volume": 117.56202265885823,
"volume_molar": 8.849688106024422,
"formula_full": "Zr2 Cu6",
"formula_reduced": "ZrCu3",
"formula_anonymous": "AB3",
"energy": -42.31281754,
"energy_per_atom": -5.2891021925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.31281754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.553000Z",
"spacegroup": 194
}
]
}