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{
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{
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{
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"structure_string": "Sr2 Pr1 F6\n1.0\n-2.013019 3.044926 6.170891\n2.013019 -3.044926 6.170891\n2.013019 3.044926 -6.170891\nSr Pr F\n2 1 6\ndirect\n0.671220 0.671220 0.000000 Sr\n0.328780 0.328780 0.000000 Sr\n0.000000 0.000000 0.000000 Pr\n0.733706 0.500000 0.233706 F\n0.414153 0.162100 0.252053 F\n0.089952 0.837900 0.252053 F\n0.266294 0.500000 0.766294 F\n0.910048 0.162100 0.747947 F\n0.585847 0.837900 0.747947 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Pr",
"F"
],
"chemical_system": "F-Pr-Sr",
"density": 4.720896678657766,
"density_atomic": 0.05948535068633839,
"volume": 151.29775476076955,
"volume_molar": 10.123737509347936,
"formula_full": "Sr2 Pr1 F6",
"formula_reduced": "Sr2PrF6",
"formula_anonymous": "AB2C6",
"energy": -55.735117900000006,
"energy_per_atom": -6.192790877777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.9631179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9885219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.984000Z",
"spacegroup": 71
}
]
}