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{
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{
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{
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{
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{
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{
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"structure_string": "Rb2 Al1 Ag1 F6\n1.0\n0.000000 4.326119 4.326119\n4.326119 0.000000 4.326119\n4.326119 4.326119 0.000000\nRb Al Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.213042 0.213042 0.786958 F\n0.213042 0.786958 0.786958 F\n0.786958 0.786958 0.213042 F\n0.213042 0.786958 0.213042 F\n0.786958 0.213042 0.786958 F\n0.786958 0.213042 0.213042 F\n",
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{
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"formula_full": "K2 Al1 Ag1 F6",
"formula_reduced": "K2AlAgF6",
"formula_anonymous": "ABC2D6",
"energy": -50.79422496,
"energy_per_atom": -5.079422496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.02222496,
"band_gap": 3.0675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.747000Z",
"spacegroup": 225
}
]
}