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"id": "mp-1248182",
"created_at": "2022-09-04T14:44:53.809238Z",
"structure_string": "Na4 Al11 Si13 Ag7 O48\n1.0\n12.818442 -0.012871 0.107656\n-0.012992 12.416575 0.017041\n0.114474 0.016001 11.794401\nNa Al Si Ag O\n4 11 13 7 48\ndirect\n0.587151 0.000277 0.534678 Na\n0.593474 0.396906 0.918189 Na\n0.598013 0.602626 0.086874 Na\n0.778352 0.791032 0.807225 Na\n0.376343 0.195094 0.997465 Al\n0.379314 0.001138 0.795834 Al\n0.380172 0.803361 0.999781 Al\n0.607856 0.999338 0.224004 Al\n0.611890 0.187938 0.009214 Al\n0.617420 0.000456 0.792406 Al\n0.618380 0.815957 0.005275 Al\n0.823663 0.001480 0.369036 Al\n0.817033 0.377333 0.004544 Al\n0.820282 0.624320 0.995934 Al\n0.839498 0.995858 0.643338 Al\n0.990505 0.182198 0.365511 Si\n0.999759 0.376421 0.193768 Si\n0.006719 0.373541 0.812188 Si\n0.992612 0.821247 0.362001 Si\n0.006808 0.625853 0.807671 Si\n0.998469 0.816768 0.633097 Si\n0.165504 0.004158 0.357540 Si\n0.177138 0.369079 0.001898 Si\n0.179592 0.625457 0.997905 Si\n0.173375 0.000271 0.623855 Si\n0.370970 0.999144 0.190756 Si\n0.999100 0.181747 0.635596 Si\n0.002970 0.623189 0.190327 Si\n0.215265 0.812405 0.805823 Ag\n0.216766 0.196740 0.800725 Ag\n0.211365 0.796916 0.196150 Ag\n0.802350 0.173988 0.840722 Ag\n0.795087 0.179997 0.169413 Ag\n0.803423 0.824517 0.163300 Ag\n0.758481 0.003971 0.007423 Ag\n0.983492 0.206442 0.501827 O\n0.012617 0.297948 0.698954 O\n0.020602 0.499452 0.772716 O\n0.019982 0.699495 0.693157 O\n0.108368 0.112770 0.653822 O\n0.111567 0.650374 0.116236 O\n0.106449 0.660703 0.888662 O\n0.102797 0.891761 0.656794 O\n0.093192 0.108785 0.335982 O\n0.100532 0.351464 0.111925 O\n0.109798 0.337997 0.886029 O\n0.099795 0.891278 0.329528 O\n0.198617 0.998271 0.489125 O\n0.205680 0.497948 0.990429 O\n0.276562 0.995722 0.695369 O\n0.281987 0.699090 0.999984 O\n0.268029 0.004883 0.278952 O\n0.278349 0.296453 0.005247 O\n0.368523 0.101977 0.108805 O\n0.356345 0.122086 0.870983 O\n0.352154 0.883166 0.123256 O\n0.360214 0.881985 0.878497 O\n0.475779 0.992843 0.266209 O\n0.497789 0.262491 0.996261 O\n0.502398 0.741303 0.012118 O\n0.498850 0.999914 0.723198 O\n0.633354 0.113618 0.134566 O\n0.638833 0.112454 0.884106 O\n0.638951 0.888982 0.132226 O\n0.646846 0.890868 0.883287 O\n0.709879 0.995929 0.681141 O\n0.723162 0.721334 0.006349 O\n0.690412 0.999438 0.342604 O\n0.717219 0.282593 0.999887 O\n0.750964 0.501776 0.997901 O\n0.869302 0.998375 0.503031 O\n0.905135 0.114228 0.698051 O\n0.902194 0.642275 0.113488 O\n0.895463 0.648891 0.869962 O\n0.898325 0.872850 0.693638 O\n0.887842 0.122055 0.314853 O\n0.891623 0.358033 0.127235 O\n0.899306 0.355796 0.883150 O\n0.891745 0.883462 0.311208 O\n0.004577 0.299134 0.304711 O\n0.008839 0.500959 0.239244 O\n0.006080 0.705632 0.297594 O\n0.989090 0.794399 0.497236 O\n",
"nsites": 83,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Na-O-Si",
"density": 2.0142800727790346,
"density_atomic": 0.044218277706388275,
"volume": 1877.0518506198825,
"volume_molar": 13.619121034037862,
"formula_full": "Na4 Al11 Si13 Ag7 O48",
"formula_reduced": "Na4Al11Si13Ag7O48",
"formula_anonymous": "A4B7C11D13E48",
"energy": -606.08068439,
"energy_per_atom": -7.302176920361446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -573.10468439,
"band_gap": 1.4874999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.165000Z",
"spacegroup": 1
}
]
}