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{
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"volume_molar": 10.298387484058882,
"formula_full": "Lu4 Mn4 Si4",
"formula_reduced": "LuMnSi",
"formula_anonymous": "ABC",
"energy": -82.76100925,
"energy_per_atom": -6.896750770833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.04500925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6019402,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.229000Z",
"spacegroup": 62
},
{
"id": "mp-1021274",
"created_at": "2022-09-04T14:44:51.016503Z",
"structure_string": "Li2 Mg12 Cd2\n1.0\n5.122923 0.000000 0.000000\n0.000000 6.298077 0.000000\n0.000000 0.000000 10.882070\nLi Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.832964 Li\n0.500000 0.500000 0.332964 Li\n0.500000 0.249048 0.583616 Mg\n0.500000 0.750952 0.583616 Mg\n0.000000 0.251512 0.415731 Mg\n0.000000 0.748488 0.415731 Mg\n0.000000 0.000000 0.667921 Mg\n0.000000 0.000000 0.166831 Mg\n0.500000 0.749048 0.083616 Mg\n0.500000 0.250952 0.083616 Mg\n0.000000 0.751512 0.915731 Mg\n0.000000 0.248488 0.915731 Mg\n0.000000 0.500000 0.167921 Mg\n0.000000 0.500000 0.666831 Mg\n0.500000 0.000000 0.333594 Cd\n0.500000 0.500000 0.833594 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.5083366590992897,
"density_atomic": 0.045570382423495454,
"volume": 351.105238733977,
"volume_molar": 13.215032307683837,
"formula_full": "Li2 Mg12 Cd2",
"formula_reduced": "LiMg6Cd",
"formula_anonymous": "ABC6",
"energy": -25.73558681,
"energy_per_atom": -1.608474175625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.73558681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.168000Z",
"spacegroup": 38
}
]
}