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{
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -182.59287321,
"band_gap": 3.0100000000000007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.2606425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.157000Z",
"spacegroup": 47
},
{
"id": "mp-1026551",
"created_at": "2022-09-04T14:46:56.303334Z",
"structure_string": "Sr1 Mg14 C1\n1.0\n6.488877 0.000000 0.000000\n-3.244439 5.619532 -0.000000\n0.000000 0.000000 10.157290\nSr Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.182718 0.841358 0.125000 Mg\n0.149055 0.824527 0.625000 Mg\n0.658642 0.317282 0.125000 Mg\n0.675473 0.350945 0.625000 Mg\n0.658642 0.841358 0.125000 Mg\n0.675473 0.824527 0.625000 Mg\n0.326037 0.173963 0.406961 Mg\n0.326037 0.173963 0.843039 Mg\n0.326037 0.652076 0.406961 Mg\n0.326037 0.652076 0.843039 Mg\n0.847924 0.173963 0.406961 Mg\n0.847924 0.173963 0.843039 Mg\n0.833333 0.666667 0.363545 Mg\n0.833333 0.666667 0.886455 Mg\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 1.972223856402339,
"density_atomic": 0.043198875301046276,
"volume": 370.38001310215776,
"volume_molar": 13.940503584948988,
"formula_full": "Sr1 Mg14 C1",
"formula_reduced": "SrMg14C",
"formula_anonymous": "ABC14",
"energy": -28.09553234,
"energy_per_atom": -1.75597077125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.09553234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.012000Z",
"spacegroup": 187
},
{
"id": "mp-1026595",
"created_at": "2022-09-04T14:42:45.839529Z",
"structure_string": "Sr1 Mg14 C1\n1.0\n6.648485 0.320312 0.000000\n-3.046844 5.277288 0.000000\n0.000000 0.000000 10.240256\nSr Mg C\n1 14 1\ndirect\n0.115374 0.307686 0.125000 Sr\n0.167436 0.333718 0.625000 Mg\n0.146823 0.823411 0.625000 Mg\n0.591616 0.276572 0.125000 Mg\n0.656435 0.333010 0.625000 Mg\n0.591616 0.815043 0.125000 Mg\n0.656435 0.823424 0.625000 Mg\n0.343257 0.165355 0.379764 Mg\n0.343257 0.165355 0.870236 Mg\n0.343257 0.677903 0.379764 Mg\n0.343257 0.677903 0.870236 Mg\n0.827779 0.163890 0.391205 Mg\n0.827779 0.163890 0.858795 Mg\n0.879209 0.689605 0.323589 Mg\n0.879209 0.689605 0.926411 Mg\n0.287259 0.893629 0.125000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 1.9780815936847476,
"density_atomic": 0.04332718105172848,
"volume": 369.28319848220775,
"volume_molar": 13.899221259767959,
"formula_full": "Sr1 Mg14 C1",
"formula_reduced": "SrMg14C",
"formula_anonymous": "ABC14",
"energy": -29.48745855,
"energy_per_atom": -1.842966159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48745855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.909000Z",
"spacegroup": 38
}
]
}