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"created_at": "2022-09-04T14:40:15.502153Z",
"structure_string": "Zr1 Ti1 Zn2\n1.0\n-5.520015 5.636062 7.823992\n5.520015 -5.636062 7.823992\n5.520015 5.636062 -7.823992\nZr Ti Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245546 0.245546 Zn\n0.000000 0.754454 0.754454 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn-Zr",
"density": 0.46032234265687183,
"density_atomic": 0.004108237877819001,
"volume": 973.6534540992882,
"volume_molar": 146.58695380115282,
"formula_full": "Zr1 Ti1 Zn2",
"formula_reduced": "ZrTiZn2",
"formula_anonymous": "ABC2",
"energy": -8.25435722,
"energy_per_atom": -2.063589305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25435722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9701882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.951000Z",
"spacegroup": 71
},
{
"id": "mp-1215175",
"created_at": "2022-09-04T14:39:46.852899Z",
"structure_string": "Zr1 Ti1 W4\n1.0\n0.000000 3.791313 3.791313\n3.791313 0.000000 3.791313\n3.791313 3.791313 0.000000\nZr Ti W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624944 0.624944 0.125167 W\n0.624944 0.125167 0.624944 W\n0.125167 0.624944 0.624944 W\n0.624944 0.624944 0.624944 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"W"
],
"chemical_system": "Ti-W-Zr",
"density": 13.322497900504619,
"density_atomic": 0.05504936765538769,
"volume": 108.99307758738222,
"volume_molar": 10.93952758494695,
"formula_full": "Zr1 Ti1 W4",
"formula_reduced": "ZrTiW4",
"formula_anonymous": "ABC4",
"energy": -68.56535127,
"energy_per_atom": -11.427558544999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.56535127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.542000Z",
"spacegroup": 216
}
]
}