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"structure_string": "K20\n1.0\n11.435131 0.000000 0.000000\n0.000000 11.435131 0.000000\n0.000000 0.000000 11.435131\nK\n20\ndirect\n0.875000 0.702742 0.047258 K\n0.062133 0.062133 0.062133 K\n0.202742 0.452742 0.125000 K\n0.812133 0.312133 0.187867 K\n0.452742 0.125000 0.202742 K\n0.547258 0.625000 0.297258 K\n0.187867 0.812133 0.312133 K\n0.797258 0.952742 0.375000 K\n0.937867 0.562133 0.437867 K\n0.125000 0.202742 0.452742 K\n0.625000 0.297258 0.547258 K\n0.437867 0.937867 0.562133 K\n0.297258 0.547258 0.625000 K\n0.687867 0.687867 0.687867 K\n0.047258 0.875000 0.702742 K\n0.952742 0.375000 0.797258 K\n0.312133 0.187867 0.812133 K\n0.702742 0.047258 0.875000 K\n0.562133 0.437867 0.937867 K\n0.375000 0.797258 0.952742 K\n",
"nsites": 20,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8683874434521244,
"density_atomic": 0.013375393355957815,
"volume": 1495.2831268391355,
"volume_molar": 45.02402732939104,
"formula_full": "K20",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -22.20797894,
"energy_per_atom": -1.110398947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.20797894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0563845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.190000Z",
"spacegroup": 213
}
]
}