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"id": "mp-1247737",
"created_at": "2022-09-04T14:42:44.800483Z",
"structure_string": "La2 Fe18\n1.0\n7.398040 -0.000152 -4.156448\n-2.336390 7.019397 -4.157276\n-0.995907 -1.381657 6.889840\nLa Fe\n2 18\ndirect\n0.250468 0.250539 0.501028 La\n0.749532 0.749461 0.498972 La\n0.580196 0.724168 0.000020 Fe\n0.846277 0.346093 0.378616 Fe\n0.000000 0.500000 0.000000 Fe\n0.346844 0.534130 0.381206 Fe\n0.965648 0.152913 0.618776 Fe\n0.920378 0.224866 0.000026 Fe\n0.153723 0.653907 0.621384 Fe\n0.419804 0.275832 0.999980 Fe\n0.467691 0.967537 0.621487 Fe\n0.775820 0.920165 0.000010 Fe\n0.034352 0.847087 0.381224 Fe\n0.224180 0.079835 0.999990 Fe\n0.079622 0.775134 0.999974 Fe\n0.275060 0.579693 0.999958 Fe\n0.500000 0.000000 0.000000 Fe\n0.532309 0.032463 0.378513 Fe\n0.653156 0.465870 0.618794 Fe\n0.724940 0.420307 0.000042 Fe\n",
"nsites": 20,
"nelements": 2,
"elements": [
"La",
"Fe"
],
"chemical_system": "Fe-La",
"density": 7.809280397611645,
"density_atomic": 0.07330914771348652,
"volume": 272.8172489218647,
"volume_molar": 8.214719373817138,
"formula_full": "La2 Fe18",
"formula_reduced": "LaFe9",
"formula_anonymous": "AB9",
"energy": -158.032169,
"energy_per_atom": -7.90160845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.032169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.8471794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.874000Z",
"spacegroup": 140
},
{
"id": "mp-1095005",
"created_at": "2022-09-04T14:42:44.825973Z",
"structure_string": "Ca4 Mg2\n1.0\n1.888792 6.360567 0.000000\n-1.888792 6.360567 0.000000\n0.000000 3.539892 8.758178\nCa Mg\n4 2\ndirect\n0.164716 0.164716 0.891045 Ca\n0.480684 0.480684 0.710679 Ca\n0.519316 0.519316 0.289321 Ca\n0.835284 0.835284 0.108955 Ca\n0.814656 0.814656 0.566997 Mg\n0.185344 0.185344 0.433003 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6485781621615796,
"density_atomic": 0.02851198940225548,
"volume": 210.43778865621218,
"volume_molar": 21.121433075180683,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.39334502,
"energy_per_atom": -1.8988908366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.39334502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.763000Z",
"spacegroup": 12
}
]
}