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{
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{
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{
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"structure_string": "Cs2 Se1 Cl1 F6\n1.0\n0.000000 4.885884 4.885884\n4.885884 0.000000 4.885884\n4.885884 4.885884 0.000000\nCs Se Cl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Cl\n0.196374 0.803626 0.803626 F\n0.196374 0.803626 0.196374 F\n0.803626 0.196374 0.803626 F\n0.803626 0.803626 0.196374 F\n0.196374 0.196374 0.803626 F\n0.803626 0.196374 0.196374 F\n",
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{
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{
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{
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{
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"id": "mp-1080467",
"created_at": "2022-09-04T14:45:20.187282Z",
"structure_string": "K1 Cd4 P3\n1.0\n11.989440 -2.210329 0.000000\n11.989440 2.210329 0.000000\n11.581952 0.000000 3.806654\nK Cd P\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.909673 0.909673 0.909673 Cd\n0.090327 0.090327 0.090327 Cd\n0.698316 0.698316 0.698316 Cd\n0.301684 0.301684 0.301684 Cd\n0.771211 0.771211 0.771211 P\n0.228789 0.228789 0.228789 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cd",
"P"
],
"chemical_system": "Cd-K-P",
"density": 4.787312235696754,
"density_atomic": 0.03965160460348864,
"volume": 201.75728271274403,
"volume_molar": 15.18763444814074,
"formula_full": "K1 Cd4 P3",
"formula_reduced": "KCd4P3",
"formula_anonymous": "AB3C4",
"energy": -22.33392992,
"energy_per_atom": -2.79174124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.33392992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.198000Z",
"spacegroup": 166
}
]
}