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{
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{
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"id": "mp-1194543",
"created_at": "2022-09-04T14:44:17.364904Z",
"structure_string": "K8 Ge2 Se8 O8\n1.0\n8.250620 0.000000 0.000000\n-3.520730 8.281469 0.000000\n-0.685038 -2.956298 11.653050\nK Ge Se O\n8 2 8 8\ndirect\n0.207222 0.513645 0.925516 K\n0.792778 0.486355 0.074484 K\n0.824609 0.114989 0.163107 K\n0.175391 0.885011 0.836893 K\n0.384308 0.444813 0.661375 K\n0.615692 0.555187 0.338625 K\n0.170195 0.723021 0.452102 K\n0.829805 0.276979 0.547898 K\n0.235832 0.149680 0.276300 Ge\n0.764168 0.850320 0.723700 Ge\n0.185484 0.356880 0.401383 Se\n0.814516 0.643120 0.598617 Se\n0.505461 0.105065 0.312608 Se\n0.494539 0.894935 0.687392 Se\n0.991167 0.908385 0.309244 Se\n0.008833 0.091615 0.690756 Se\n0.265361 0.248678 0.081584 Se\n0.734639 0.751322 0.918416 Se\n0.082611 0.294580 0.061306 O\n0.917389 0.705420 0.938694 O\n0.993987 0.710850 0.252967 O\n0.006013 0.289150 0.747033 O\n0.689679 0.286431 0.297682 O\n0.310321 0.713569 0.702318 O\n0.447568 0.435761 0.123065 O\n0.552432 0.564239 0.876935 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Ge",
"Se",
"O"
],
"chemical_system": "Ge-K-O-Se",
"density": 2.539631261318939,
"density_atomic": 0.032654254435058414,
"volume": 796.2209044370574,
"volume_molar": 18.442132163747956,
"formula_full": "K8 Ge2 Se8 O8",
"formula_reduced": "K4Ge(SeO)4",
"formula_anonymous": "AB4C4D4",
"energy": -115.6720247,
"energy_per_atom": -4.448924026923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.1760247,
"band_gap": 1.4162,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.688000Z",
"spacegroup": 2
}
]
}