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{
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{
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{
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{
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"id": "mp-559172",
"created_at": "2022-09-04T14:40:21.960617Z",
"structure_string": "K4 Cr8 Ag4 O28\n1.0\n5.929348 0.000000 0.000000\n0.000000 7.807494 0.000000\n0.000000 0.000000 15.486587\nK Cr Ag O\n4 8 4 28\ndirect\n0.750000 0.643190 0.788670 K\n0.750000 0.856810 0.288670 K\n0.250000 0.356810 0.211330 K\n0.250000 0.143190 0.711330 K\n0.250000 0.803561 0.942774 Cr\n0.750000 0.176439 0.855229 Cr\n0.750000 0.323561 0.355229 Cr\n0.250000 0.696439 0.442774 Cr\n0.250000 0.823561 0.144771 Cr\n0.750000 0.303561 0.557226 Cr\n0.250000 0.676439 0.644771 Cr\n0.750000 0.196439 0.057226 Cr\n0.250000 0.157356 0.451248 Ag\n0.750000 0.657356 0.048752 Ag\n0.250000 0.342644 0.951248 Ag\n0.750000 0.842644 0.548752 Ag\n0.022162 0.701347 0.150698 O\n0.750000 0.434170 0.638455 O\n0.520853 0.318962 0.056745 O\n0.477838 0.701347 0.150698 O\n0.250000 0.967082 0.220504 O\n0.977838 0.201347 0.349302 O\n0.979147 0.181038 0.556745 O\n0.479147 0.681038 0.943255 O\n0.250000 0.577667 0.540889 O\n0.250000 0.934170 0.861545 O\n0.522162 0.201347 0.349302 O\n0.477838 0.798653 0.650698 O\n0.750000 0.032918 0.779496 O\n0.977838 0.298653 0.849302 O\n0.522162 0.298653 0.849302 O\n0.479147 0.818962 0.443255 O\n0.250000 0.532918 0.720504 O\n0.750000 0.422333 0.459111 O\n0.750000 0.077667 0.959111 O\n0.020853 0.818962 0.443255 O\n0.750000 0.065830 0.138455 O\n0.750000 0.467082 0.279496 O\n0.250000 0.922333 0.040889 O\n0.022162 0.798653 0.650698 O\n0.979147 0.318962 0.056745 O\n0.020853 0.681038 0.943255 O\n0.520853 0.181038 0.556745 O\n0.250000 0.565830 0.361545 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Cr",
"Ag",
"O"
],
"chemical_system": "Ag-Cr-K-O",
"density": 3.362690972312319,
"density_atomic": 0.06137314239693582,
"volume": 716.9259757863855,
"volume_molar": 9.812338956104467,
"formula_full": "K4 Cr8 Ag4 O28",
"formula_reduced": "KCr2AgO7",
"formula_anonymous": "ABC2D7",
"energy": -302.75807463,
"energy_per_atom": -6.8808653325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.53007463,
"band_gap": 1.429,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.954000Z",
"spacegroup": 62
}
]
}