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"energy": -25.17298266,
"energy_per_atom": -5.034596532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.11198266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.166000Z",
"spacegroup": 221
},
{
"id": "mp-9843",
"created_at": "2022-09-04T14:42:04.739991Z",
"structure_string": "Sr6 Al4 P8\n1.0\n5.108804 6.614739 0.000000\n-5.108804 6.614739 0.000000\n0.000000 0.133410 6.704981\nSr Al P\n6 4 8\ndirect\n0.992560 0.253349 0.455800 Sr\n0.746651 0.007440 0.044200 Sr\n0.007440 0.746651 0.544200 Sr\n0.253349 0.992560 0.955800 Sr\n0.598034 0.401966 0.750000 Sr\n0.401966 0.598034 0.250000 Sr\n0.581996 0.828404 0.580316 Al\n0.171596 0.418004 0.919684 Al\n0.418004 0.171596 0.419684 Al\n0.828404 0.581996 0.080316 Al\n0.704456 0.059498 0.523707 P\n0.940502 0.295544 0.976293 P\n0.418647 0.259936 0.078346 P\n0.740064 0.581353 0.421654 P\n0.581353 0.740064 0.921654 P\n0.259936 0.418647 0.578346 P\n0.059498 0.704456 0.023707 P\n0.295544 0.940502 0.476293 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Al",
"P"
],
"chemical_system": "Al-P-Sr",
"density": 3.229836244992792,
"density_atomic": 0.039720344261521455,
"volume": 453.16827773411967,
"volume_molar": 15.161350869342458,
"formula_full": "Sr6 Al4 P8",
"formula_reduced": "Sr3(AlP2)2",
"formula_anonymous": "A2B3C4",
"energy": -86.39083033,
"energy_per_atom": -4.799490573888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.39083033,
"band_gap": 1.3365000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.183000Z",
"spacegroup": 15
}
]
}