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{
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"structure_string": "Mg4 Co12 O28\n1.0\n5.241598 0.000000 0.000000\n0.000000 10.006275 0.000000\n0.000000 0.000000 10.029259\nMg Co O\n4 12 28\ndirect\n0.351659 0.074224 0.250000 Mg\n0.851659 0.425776 0.750000 Mg\n0.648341 0.925776 0.750000 Mg\n0.148341 0.574224 0.250000 Mg\n0.698078 0.687265 0.974104 Co\n0.198078 0.812735 0.025896 Co\n0.301922 0.312735 0.474104 Co\n0.801922 0.187265 0.525896 Co\n0.692112 0.773926 0.250000 Co\n0.192112 0.726074 0.750000 Co\n0.307888 0.226074 0.750000 Co\n0.807888 0.273926 0.250000 Co\n0.198078 0.812735 0.474104 Co\n0.698078 0.687265 0.525896 Co\n0.801922 0.187265 0.974104 Co\n0.301922 0.312735 0.025896 Co\n0.062101 0.288039 0.878263 O\n0.562101 0.211961 0.121737 O\n0.937899 0.711961 0.378263 O\n0.437899 0.788039 0.621737 O\n0.937899 0.711961 0.121737 O\n0.437899 0.788039 0.878263 O\n0.062101 0.288039 0.621737 O\n0.562101 0.211961 0.378263 O\n0.540582 0.288555 0.881270 O\n0.040582 0.211445 0.118730 O\n0.459418 0.711445 0.381270 O\n0.959418 0.788555 0.618730 O\n0.459418 0.711445 0.118730 O\n0.959418 0.788555 0.881270 O\n0.540582 0.288555 0.618730 O\n0.040582 0.211445 0.381270 O\n0.835176 0.439963 0.250000 O\n0.335176 0.060037 0.750000 O\n0.164824 0.560037 0.750000 O\n0.664824 0.939963 0.250000 O\n0.780076 0.036032 0.594500 O\n0.280076 0.463968 0.405500 O\n0.219924 0.963968 0.094500 O\n0.719924 0.536032 0.905500 O\n0.219924 0.963968 0.405500 O\n0.719924 0.536032 0.594500 O\n0.780076 0.036032 0.905500 O\n0.280076 0.463968 0.094500 O\n",
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{
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"B",
"Mo",
"C"
],
"chemical_system": "B-C-Mo",
"density": 7.535410173791815,
"density_atomic": 0.11463114985704773,
"volume": 52.341793722582196,
"volume_molar": 5.253494157137906,
"formula_full": "B2 Mo2 C2",
"formula_reduced": "BMoC",
"formula_anonymous": "ABC",
"energy": -51.04116826,
"energy_per_atom": -8.506861376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.04116826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.064000Z",
"spacegroup": 194
}
]
}