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{
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"created_at": "2022-09-04T14:46:17.135240Z",
"structure_string": "Gd1 Zr1 Ru2\n1.0\n0.000000 3.352950 3.352950\n3.352950 0.000000 3.352950\n3.352950 3.352950 0.000000\nGd Zr Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Zr",
"Ru"
],
"chemical_system": "Gd-Ru-Zr",
"density": 9.925275051103606,
"density_atomic": 0.05305774206759473,
"volume": 75.38956322159474,
"volume_molar": 11.350164038884065,
"formula_full": "Gd1 Zr1 Ru2",
"formula_reduced": "GdZrRu2",
"formula_anonymous": "ABC2",
"energy": -42.91018613,
"energy_per_atom": -10.7275465325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.91018613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1324848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.926000Z",
"spacegroup": 225
},
{
"id": "mp-7830",
"created_at": "2022-09-04T14:40:17.875883Z",
"structure_string": "U1 O1\n1.0\n0.000000 2.431684 2.431684\n2.431684 0.000000 2.431684\n2.431684 2.431684 0.000000\nU O\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 14.668300857638336,
"density_atomic": 0.06954703001823168,
"volume": 28.757518465931646,
"volume_molar": 8.659091205506982,
"formula_full": "U1 O1",
"formula_reduced": "UO",
"formula_anonymous": "AB",
"energy": -21.45637485,
"energy_per_atom": -10.728187425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.76937485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0006295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.050000Z",
"spacegroup": 225
}
]
}