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{
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{
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{
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{
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"structure_string": "Li2 Ag2 F6\n1.0\n3.931850 -5.222089 0.000000\n3.931850 5.222089 0.000000\n0.000000 0.000000 3.203465\nLi Ag F\n2 2 6\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.643622 0.356378 0.000000 F\n0.049285 0.326358 0.500000 F\n0.673642 0.950715 0.500000 F\n0.326358 0.049285 0.500000 F\n0.950715 0.673642 0.500000 F\n0.356378 0.643622 0.000000 F\n",
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{
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{
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"id": "mp-1185545",
"created_at": "2022-09-04T14:47:28.549982Z",
"structure_string": "Cs1 Pb1 O3\n1.0\n4.480574 0.000000 0.000000\n0.000000 4.480574 0.000000\n0.000000 0.000000 4.480574\nCs Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Pb",
"O"
],
"chemical_system": "Cs-O-Pb",
"density": 7.164664583017451,
"density_atomic": 0.05558646307603625,
"volume": 89.94995765714654,
"volume_molar": 10.833826127347526,
"formula_full": "Cs1 Pb1 O3",
"formula_reduced": "CsPbO3",
"formula_anonymous": "ABC3",
"energy": -25.07326274,
"energy_per_atom": -5.014652548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.012262740000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0528167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.937000Z",
"spacegroup": 221
}
]
}