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"id": "mp-1248154",
"created_at": "2022-09-04T14:45:16.846952Z",
"structure_string": "K6 Al11 Si13 Ag5 O48\n1.0\n12.660527 0.000000 0.007134\n0.000000 12.653369 0.000000\n0.010431 0.000000 12.045599\nK Al Si Ag O\n6 11 13 5 48\ndirect\n0.543922 0.389172 0.951343 K\n0.543922 0.610828 0.951343 K\n0.749289 0.232196 0.755359 K\n0.745760 0.248855 0.247226 K\n0.745760 0.751145 0.247226 K\n0.749289 0.767804 0.755359 K\n0.368089 0.182137 0.003456 Al\n0.368089 0.817863 0.003456 Al\n0.370857 0.000000 0.807247 Al\n0.629928 0.174976 0.009832 Al\n0.622591 0.000000 0.213417 Al\n0.629928 0.825024 0.009832 Al\n0.628813 0.000000 0.802650 Al\n0.816617 0.375313 0.996722 Al\n0.816617 0.624687 0.996722 Al\n0.831402 0.000000 0.368240 Al\n0.841410 0.000000 0.638075 Al\n0.002738 0.377673 0.189333 Si\n0.002054 0.184653 0.630791 Si\n0.002738 0.622327 0.189333 Si\n0.995759 0.817341 0.365106 Si\n0.006594 0.375088 0.809789 Si\n0.002054 0.815347 0.630791 Si\n0.183359 0.625366 0.000338 Si\n0.183359 0.374634 0.000338 Si\n0.174629 0.000000 0.626775 Si\n0.169034 0.000000 0.365445 Si\n0.364277 0.000000 0.193196 Si\n0.995759 0.182659 0.365106 Si\n0.006594 0.624912 0.809789 Si\n0.198332 0.810473 0.806997 Ag\n0.198332 0.189527 0.806997 Ag\n0.197160 0.799135 0.192058 Ag\n0.197160 0.200865 0.192058 Ag\n0.776284 0.000000 0.008821 Ag\n0.011603 0.295717 0.295633 O\n0.998061 0.214932 0.497490 O\n0.014951 0.500000 0.235212 O\n0.019339 0.298188 0.699374 O\n0.011603 0.704283 0.295633 O\n0.019339 0.701812 0.699374 O\n0.103090 0.109612 0.335159 O\n0.109612 0.351452 0.112146 O\n0.113237 0.348646 0.887445 O\n0.103090 0.890388 0.335159 O\n0.108392 0.110857 0.654258 O\n0.109612 0.648548 0.112146 O\n0.113237 0.651354 0.887445 O\n0.108392 0.889143 0.654258 O\n0.215733 0.500000 0.998523 O\n0.195640 0.000000 0.494703 O\n0.287517 0.302497 0.006778 O\n0.280621 0.000000 0.694504 O\n0.287517 0.697503 0.006778 O\n0.278168 0.000000 0.298010 O\n0.331357 0.107412 0.123317 O\n0.332504 0.114309 0.884037 O\n0.331357 0.892588 0.123317 O\n0.332504 0.885691 0.884037 O\n0.498134 0.219198 0.010835 O\n0.498284 0.000000 0.764534 O\n0.498134 0.780802 0.010835 O\n0.483258 0.000000 0.235652 O\n0.660445 0.109973 0.132795 O\n0.663991 0.109143 0.888018 O\n0.660445 0.890027 0.132795 O\n0.663991 0.890857 0.888018 O\n0.716167 0.000000 0.689957 O\n0.709576 0.290706 0.004969 O\n0.709576 0.709294 0.004969 O\n0.700482 0.000000 0.332352 O\n0.759370 0.500000 0.983629 O\n0.876892 0.000000 0.501402 O\n0.893829 0.122388 0.318121 O\n0.896213 0.361051 0.119837 O\n0.899802 0.350613 0.877328 O\n0.893829 0.877612 0.318121 O\n0.902784 0.123645 0.682608 O\n0.896213 0.638949 0.119837 O\n0.899802 0.649387 0.877328 O\n0.902784 0.876355 0.682608 O\n0.015558 0.500000 0.770662 O\n0.998061 0.785068 0.497490 O\n",
"nsites": 83,
"nelements": 5,
"elements": [
"K",
"Al",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Al-K-O-Si",
"density": 1.8964316036664841,
"density_atomic": 0.043012228667353276,
"volume": 1929.6837799757598,
"volume_molar": 14.000996801569753,
"formula_full": "K6 Al11 Si13 Ag5 O48",
"formula_reduced": "K6Al11Si13Ag5O48",
"formula_anonymous": "A5B6C11D13E48",
"energy": -606.06741217,
"energy_per_atom": -7.302017014096386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -573.09141217,
"band_gap": 1.7038,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.893000Z",
"spacegroup": 6
}
]
}