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{
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{
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"elements": [
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],
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"density_atomic": 0.041194482141820116,
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"volume_molar": 14.618804380809049,
"formula_full": "Ca4 Al11 Si13 Ag3 O48",
"formula_reduced": "Ca4Al11Si13(AgO16)3",
"formula_anonymous": "A3B4C11D13E48",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -578.4462294,
"band_gap": 2.4763,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.242000Z",
"spacegroup": 1
},
{
"id": "mp-677550",
"created_at": "2022-09-04T14:44:59.997123Z",
"structure_string": "Ca5 Al12 Si12 Ag2 O48\n1.0\n12.174520 0.000000 0.000000\n0.042060 12.181115 0.000000\n0.121034 0.106089 12.928246\nCa Al Si Ag O\n5 12 12 2 48\ndirect\n0.803804 0.801314 0.770740 Ca\n0.186560 0.815989 0.216765 Ca\n0.816008 0.813803 0.222414 Ca\n0.816989 0.183950 0.217832 Ca\n0.180133 0.179130 0.216290 Ca\n0.999604 0.638564 0.822791 Al\n0.636963 0.997044 0.823912 Al\n0.196442 0.995401 0.626424 Al\n0.001113 0.196556 0.623725 Al\n0.804386 0.000270 0.388574 Al\n0.999783 0.804157 0.389048 Al\n0.194411 0.997558 0.388214 Al\n0.998298 0.195508 0.387955 Al\n0.364438 0.001180 0.165636 Al\n0.002502 0.635827 0.167831 Al\n0.001507 0.363833 0.165637 Al\n0.636340 0.001471 0.167681 Al\n0.369111 0.814689 0.996136 Si\n0.813922 0.371572 0.998866 Si\n0.633951 0.189446 0.994193 Si\n0.187325 0.371561 0.991839 Si\n0.370054 0.187293 0.991708 Si\n0.372006 0.996791 0.822044 Si\n0.998039 0.374947 0.821854 Si\n0.810831 0.002980 0.621804 Si\n0.006745 0.811325 0.623508 Si\n0.633121 0.811530 0.000198 Si\n0.812021 0.634786 0.999345 Si\n0.188615 0.634786 0.994395 Si\n0.196721 0.190490 0.784566 Ag\n0.806524 0.200732 0.789575 Ag\n0.689183 0.689402 0.999771 O\n0.308424 0.696002 0.989023 O\n0.696073 0.308900 0.987753 O\n0.214546 0.501760 0.000717 O\n0.501777 0.213554 0.998187 O\n0.339863 0.892745 0.898523 O\n0.890139 0.341997 0.898006 O\n0.110867 0.346061 0.890309 O\n0.343867 0.111494 0.891098 O\n0.676613 0.875579 0.895346 O\n0.873783 0.674764 0.892895 O\n0.113327 0.665620 0.897410 O\n0.669823 0.118838 0.891893 O\n0.500920 0.994884 0.796047 O\n0.992796 0.501483 0.791605 O\n0.726317 0.973102 0.719501 O\n0.970305 0.725643 0.718225 O\n0.990070 0.291459 0.727907 O\n0.296449 0.000877 0.724130 O\n0.892991 0.893177 0.634190 O\n0.114554 0.877065 0.649635 O\n0.875693 0.116157 0.646470 O\n0.112143 0.111569 0.653991 O\n0.002229 0.748718 0.513655 O\n0.256783 0.995768 0.505059 O\n0.997491 0.259886 0.504666 O\n0.747480 0.001771 0.513314 O\n0.875840 0.876471 0.370843 O\n0.119845 0.876508 0.362370 O\n0.876024 0.121664 0.365654 O\n0.115605 0.115966 0.362689 O\n0.732867 0.999360 0.266854 O\n0.995383 0.730571 0.268578 O\n0.999480 0.263102 0.261612 O\n0.263659 0.000238 0.261976 O\n0.001953 0.499509 0.189691 O\n0.500009 0.004287 0.190215 O\n0.326134 0.874903 0.102473 O\n0.874353 0.324804 0.102493 O\n0.124724 0.322872 0.095372 O\n0.324208 0.125926 0.096693 O\n0.677283 0.876118 0.102794 O\n0.877947 0.678182 0.101050 O\n0.127861 0.677382 0.102386 O\n0.678215 0.125763 0.098664 O\n0.501603 0.792735 0.001272 O\n0.791810 0.502660 0.003203 O\n0.302820 0.303225 0.976490 O\n",
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"formula_full": "Ca5 Al12 Si12 Ag2 O48",
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}
]
}