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{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -151.66009079000003,
"band_gap": 1.3465000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.629000Z",
"spacegroup": 65
},
{
"id": "mp-1044745",
"created_at": "2022-09-04T14:44:00.670928Z",
"structure_string": "Ba1 Ca1 Mo4 O8\n1.0\n2.920190 -5.057917 0.000000\n2.920190 5.057917 0.000000\n0.000000 0.000000 7.579887\nBa Ca Mo O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.730211 Mo\n0.666667 0.333333 0.730211 Mo\n0.333333 0.666667 0.269789 Mo\n0.666667 0.333333 0.269789 Mo\n0.304850 0.304850 0.701005 O\n0.695150 0.000000 0.701005 O\n0.000000 0.695150 0.701005 O\n0.695150 0.695150 0.298995 O\n0.000000 0.304850 0.298995 O\n0.304850 0.000000 0.298995 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Mo",
"O"
],
"chemical_system": "Ba-Ca-Mo-O",
"density": 5.110857252179079,
"density_atomic": 0.06252482732249451,
"volume": 223.9110542087532,
"volume_molar": 9.631599186893586,
"formula_full": "Ba1 Ca1 Mo4 O8",
"formula_reduced": "BaCa(MoO2)4",
"formula_anonymous": "ABC4D8",
"energy": -112.02467691,
"energy_per_atom": -8.001762636428571,
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"energy_uncorrected": -93.72067691,
"band_gap": 0.0,
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"total_magnetization": 11.9991672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.513000Z",
"spacegroup": 162
}
]
}