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{
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{
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{
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{
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"id": "mp-1215236",
"created_at": "2022-09-04T14:43:16.731423Z",
"structure_string": "Zr1 Ti1\n1.0\n3.111935 0.000000 0.000000\n0.000000 3.111935 0.000000\n0.000000 0.000000 4.197765\nZr Ti\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.681577963007207,
"density_atomic": 0.04919838414270877,
"volume": 40.65174161408716,
"volume_molar": 12.240525506959125,
"formula_full": "Zr1 Ti1",
"formula_reduced": "ZrTi",
"formula_anonymous": "AB",
"energy": -16.26652195,
"energy_per_atom": -8.133260975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.26652195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.216000Z",
"spacegroup": 123
}
]
}