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"elements": [
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"updated_at": "2021-11-28T01:38:31.170000Z",
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},
{
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"elements": [
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"formula_full": "Ca32 Te40 O112",
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"updated_at": "2021-11-28T01:35:42.255000Z",
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{
"id": "mp-28979",
"created_at": "2022-09-04T14:46:18.580447Z",
"structure_string": "Ba6 C120\n1.0\n11.475325 0.000000 0.000000\n0.000000 11.475325 0.000000\n0.000000 0.000000 11.475325\nBa C\n6 120\ndirect\n0.250000 0.000000 0.500000 Ba\n0.750000 0.000000 0.500000 Ba\n0.000000 0.500000 0.250000 Ba\n0.000000 0.500000 0.750000 Ba\n0.500000 0.750000 0.000000 Ba\n0.500000 0.250000 0.000000 Ba\n0.000000 0.304927 0.062206 C\n0.500000 0.437794 0.804927 C\n0.500000 0.562206 0.195073 C\n0.562206 0.804927 0.500000 C\n0.437794 0.804927 0.500000 C\n0.195073 0.500000 0.562206 C\n0.804927 0.500000 0.562206 C\n0.062206 0.000000 0.304927 C\n0.304927 0.062206 0.000000 C\n0.695073 0.937794 0.000000 C\n0.062206 0.000000 0.695073 C\n0.695073 0.062206 0.000000 C\n0.937794 0.000000 0.304927 C\n0.937794 0.000000 0.695073 C\n0.304927 0.937794 0.000000 C\n0.000000 0.695073 0.937794 C\n0.000000 0.304927 0.937794 C\n0.000000 0.695073 0.062206 C\n0.804927 0.500000 0.437794 C\n0.195073 0.500000 0.437794 C\n0.562206 0.195073 0.500000 C\n0.437794 0.195073 0.500000 C\n0.500000 0.562206 0.804927 C\n0.500000 0.437794 0.195073 C\n0.125117 0.102153 0.265567 C\n0.625117 0.234433 0.602153 C\n0.625117 0.765567 0.397847 C\n0.765567 0.602153 0.374883 C\n0.234433 0.602153 0.625117 C\n0.397847 0.625117 0.765567 C\n0.602153 0.374883 0.765567 C\n0.265567 0.125117 0.102153 C\n0.102153 0.265567 0.125117 C\n0.897847 0.734433 0.125117 C\n0.265567 0.874883 0.897847 C\n0.897847 0.265567 0.874883 C\n0.734433 0.874883 0.102153 C\n0.734433 0.125117 0.897847 C\n0.102153 0.734433 0.874883 C\n0.125117 0.897847 0.734433 C\n0.874883 0.102153 0.734433 C\n0.874883 0.897847 0.265567 C\n0.602153 0.625117 0.234433 C\n0.397847 0.374883 0.234433 C\n0.765567 0.397847 0.625117 C\n0.234433 0.397847 0.374883 C\n0.374883 0.765567 0.602153 C\n0.374883 0.234433 0.397847 C\n0.874883 0.897847 0.734433 C\n0.374883 0.765567 0.397847 C\n0.374883 0.234433 0.602153 C\n0.234433 0.397847 0.625117 C\n0.765567 0.397847 0.374883 C\n0.602153 0.374883 0.234433 C\n0.397847 0.625117 0.234433 C\n0.734433 0.874883 0.897847 C\n0.897847 0.734433 0.874883 C\n0.102153 0.265567 0.874883 C\n0.734433 0.125117 0.102153 C\n0.102153 0.734433 0.125117 C\n0.265567 0.125117 0.897847 C\n0.265567 0.874883 0.102153 C\n0.897847 0.265567 0.125117 C\n0.874883 0.102153 0.265567 C\n0.125117 0.897847 0.265567 C\n0.125117 0.102153 0.734433 C\n0.397847 0.374883 0.765567 C\n0.602153 0.625117 0.765567 C\n0.234433 0.602153 0.374883 C\n0.765567 0.602153 0.625117 C\n0.625117 0.234433 0.397847 C\n0.625117 0.765567 0.602153 C\n0.062820 0.202236 0.226652 C\n0.562820 0.273348 0.702236 C\n0.562820 0.726652 0.297764 C\n0.726652 0.702236 0.437180 C\n0.273348 0.702236 0.562820 C\n0.297764 0.562820 0.726652 C\n0.702236 0.437180 0.726652 C\n0.226652 0.062820 0.202236 C\n0.202236 0.226652 0.062820 C\n0.797764 0.773348 0.062820 C\n0.226652 0.937180 0.797764 C\n0.797764 0.226652 0.937180 C\n0.773348 0.937180 0.202236 C\n0.773348 0.062820 0.797764 C\n0.202236 0.773348 0.937180 C\n0.062820 0.797764 0.773348 C\n0.937180 0.202236 0.773348 C\n0.937180 0.797764 0.226652 C\n0.702236 0.562820 0.273348 C\n0.297764 0.437180 0.273348 C\n0.726652 0.297764 0.562820 C\n0.273348 0.297764 0.437180 C\n0.437180 0.726652 0.702236 C\n0.437180 0.273348 0.297764 C\n0.937180 0.797764 0.773348 C\n0.437180 0.726652 0.297764 C\n0.437180 0.273348 0.702236 C\n0.273348 0.297764 0.562820 C\n0.726652 0.297764 0.437180 C\n0.702236 0.437180 0.273348 C\n0.297764 0.562820 0.273348 C\n0.773348 0.937180 0.797764 C\n0.797764 0.773348 0.937180 C\n0.202236 0.226652 0.937180 C\n0.773348 0.062820 0.202236 C\n0.202236 0.773348 0.062820 C\n0.226652 0.062820 0.797764 C\n0.226652 0.937180 0.202236 C\n0.797764 0.226652 0.062820 C\n0.937180 0.202236 0.226652 C\n0.062820 0.797764 0.226652 C\n0.062820 0.202236 0.773348 C\n0.297764 0.437180 0.726652 C\n0.702236 0.562820 0.726652 C\n0.273348 0.702236 0.437180 C\n0.726652 0.702236 0.562820 C\n0.562820 0.273348 0.297764 C\n0.562820 0.726652 0.702236 C\n",
"nsites": 126,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 2.48925556501339,
"density_atomic": 0.08338262480403257,
"volume": 1511.10618424555,
"volume_molar": 7.222296940343806,
"formula_full": "Ba6 C120",
"formula_reduced": "BaC20",
"formula_anonymous": "AB20",
"energy": -1089.56785488,
"energy_per_atom": -8.647363927619047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1089.56785488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.662000Z",
"spacegroup": 223
}
]
}