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{
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{
"id": "mp-690987",
"created_at": "2022-09-04T14:46:27.349970Z",
"structure_string": "Na7 Al10 Si14 Ag3 O48\n1.0\n12.131838 0.000000 0.000000\n-0.001407 12.343796 0.000000\n-0.186930 -0.148013 12.677125\nNa Al Si Ag O\n7 10 14 3 48\ndirect\n0.508474 0.001752 0.360781 Na\n0.005410 0.393985 0.435587 Na\n0.004015 0.607750 0.402774 Na\n0.196133 0.196333 0.217914 Na\n0.814762 0.195562 0.215568 Na\n0.188768 0.808248 0.215804 Na\n0.820650 0.805884 0.209815 Na\n0.622963 0.998557 0.819226 Al\n0.998103 0.808439 0.623975 Al\n0.207533 0.003356 0.389964 Al\n0.006829 0.177679 0.382455 Al\n0.804299 0.002258 0.381732 Al\n0.005365 0.825994 0.379255 Al\n0.364206 0.998853 0.173707 Al\n0.642285 0.998445 0.166516 Al\n0.006356 0.374077 0.187421 Al\n0.005631 0.631049 0.178005 Al\n0.367666 0.815415 0.999866 Si\n0.632996 0.811678 0.996510 Si\n0.368097 0.000886 0.825576 Si\n0.997216 0.366944 0.823227 Si\n0.994916 0.622791 0.818674 Si\n0.184510 0.002821 0.637768 Si\n0.001107 0.186946 0.631636 Si\n0.809354 0.003047 0.627263 Si\n0.369626 0.184402 0.006887 Si\n0.629188 0.187597 0.005176 Si\n0.186731 0.369604 0.001065 Si\n0.816156 0.369498 0.999988 Si\n0.188963 0.624364 0.996992 Si\n0.813213 0.625647 0.995958 Si\n0.808066 0.814749 0.797481 Ag\n0.794841 0.185327 0.803307 Ag\n0.185711 0.805948 0.803277 Ag\n0.701771 0.300920 0.995342 O\n0.499482 0.786825 0.005783 O\n0.698081 0.693696 0.989587 O\n0.357404 0.106129 0.902792 O\n0.104846 0.349385 0.897328 O\n0.643933 0.118703 0.895422 O\n0.108059 0.645173 0.890869 O\n0.884236 0.336567 0.889345 O\n0.339670 0.887243 0.892438 O\n0.883874 0.653919 0.887387 O\n0.656629 0.876225 0.886616 O\n0.487997 0.989925 0.776656 O\n0.989313 0.493571 0.784792 O\n0.717281 0.013491 0.718698 O\n0.997071 0.701755 0.719537 O\n0.274483 0.007884 0.735136 O\n0.997691 0.287797 0.720224 O\n0.104988 0.109653 0.657106 O\n0.887905 0.115204 0.649739 O\n0.112596 0.891821 0.660366 O\n0.882493 0.893113 0.652477 O\n0.243696 0.004311 0.526284 O\n0.004676 0.240465 0.515844 O\n0.002694 0.751541 0.499700 O\n0.754746 0.004266 0.512262 O\n0.133925 0.121257 0.362418 O\n0.881056 0.118430 0.360984 O\n0.130187 0.888767 0.361503 O\n0.880164 0.887117 0.357180 O\n0.692170 0.002693 0.294236 O\n0.005625 0.726310 0.276825 O\n0.321320 0.001107 0.304082 O\n0.003797 0.289684 0.295111 O\n0.503282 0.993139 0.175062 O\n0.006455 0.505417 0.243277 O\n0.322173 0.121187 0.108446 O\n0.682567 0.120871 0.102818 O\n0.124115 0.342402 0.109781 O\n0.888967 0.343505 0.104181 O\n0.124426 0.659151 0.102239 O\n0.885764 0.656958 0.099239 O\n0.318887 0.878301 0.102006 O\n0.685588 0.879002 0.095856 O\n0.499470 0.221893 0.021117 O\n0.295853 0.294461 0.988562 O\n0.225100 0.497483 0.998185 O\n0.784239 0.496930 0.991433 O\n0.298114 0.700872 0.980780 O\n",
"nsites": 82,
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"elements": [
"Na",
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"O"
],
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"density": 1.675478657410439,
"density_atomic": 0.043193434851152894,
"volume": 1898.4366555375095,
"volume_molar": 13.942259467793312,
"formula_full": "Na7 Al10 Si14 Ag3 O48",
"formula_reduced": "Na7Al10Si14(AgO16)3",
"formula_anonymous": "A3B7C10D14E48",
"energy": -610.66503091,
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"updated_at": "2021-11-28T01:37:41.661000Z",
"spacegroup": 1
},
{
"id": "mp-677572",
"created_at": "2022-09-04T14:41:32.941648Z",
"structure_string": "Na8 Al11 Si13 Ag3 O48\n1.0\n12.066951 0.000000 0.000000\n-0.009458 12.399270 0.000000\n-0.331022 -0.034556 12.767901\nNa Al Si Ag O\n8 11 13 3 48\ndirect\n0.195852 0.210766 0.792407 Na\n0.556333 0.998699 0.386047 Na\n0.997576 0.389035 0.431925 Na\n0.002045 0.604644 0.407853 Na\n0.817457 0.189739 0.213819 Na\n0.193235 0.190015 0.214744 Na\n0.187830 0.812085 0.218370 Na\n0.823309 0.815087 0.216899 Na\n0.997916 0.369043 0.819863 Al\n0.795840 0.001643 0.620211 Al\n0.997203 0.810687 0.626047 Al\n0.206824 0.999669 0.388432 Al\n0.006808 0.175429 0.380768 Al\n0.804056 0.000215 0.385346 Al\n0.006584 0.820600 0.386260 Al\n0.365944 0.995847 0.175381 Al\n0.643786 0.996044 0.161663 Al\n0.002374 0.373237 0.185772 Al\n0.001561 0.631388 0.180118 Al\n0.366818 0.184015 0.007851 Si\n0.187678 0.371914 0.005611 Si\n0.632576 0.186660 0.002985 Si\n0.187605 0.625888 0.003667 Si\n0.812987 0.370444 0.996057 Si\n0.366052 0.816490 0.999736 Si\n0.812524 0.627630 0.992305 Si\n0.632770 0.814550 0.991973 Si\n0.625556 0.006056 0.823990 Si\n0.996732 0.626319 0.820643 Si\n0.363507 0.006320 0.830687 Si\n0.189270 0.000820 0.631814 Si\n0.001056 0.184150 0.627422 Si\n0.810649 0.815175 0.794234 Ag\n0.811183 0.187049 0.796455 Ag\n0.183278 0.801948 0.803347 Ag\n0.301891 0.299121 0.998949 O\n0.224912 0.499728 0.006260 O\n0.695044 0.302960 0.993715 O\n0.297026 0.702842 0.982976 O\n0.498986 0.790022 0.995371 O\n0.653887 0.115515 0.894694 O\n0.107034 0.647192 0.899220 O\n0.884469 0.659881 0.887484 O\n0.655318 0.891253 0.886625 O\n0.334751 0.116962 0.896766 O\n0.118163 0.343803 0.897961 O\n0.877617 0.333562 0.889915 O\n0.334656 0.893948 0.894539 O\n0.492092 0.006090 0.800165 O\n0.990181 0.503287 0.781486 O\n0.285642 0.012693 0.727371 O\n0.013373 0.280562 0.714972 O\n0.008181 0.712659 0.728450 O\n0.695569 0.014463 0.720899 O\n0.113383 0.109975 0.654864 O\n0.886927 0.116373 0.646497 O\n0.118036 0.892471 0.658200 O\n0.876548 0.886027 0.650655 O\n0.009656 0.236087 0.511503 O\n0.726689 0.005933 0.500532 O\n0.249248 0.003273 0.523357 O\n0.008832 0.746508 0.506303 O\n0.132834 0.117085 0.360289 O\n0.879918 0.116401 0.363005 O\n0.131230 0.883014 0.367420 O\n0.881945 0.884919 0.372947 O\n0.313408 0.995943 0.298196 O\n0.000142 0.285977 0.291414 O\n0.999084 0.724992 0.279935 O\n0.707311 0.992611 0.281586 O\n0.505795 0.995019 0.178313 O\n0.001663 0.503728 0.242352 O\n0.685871 0.118127 0.098486 O\n0.124649 0.660104 0.108591 O\n0.881690 0.658558 0.098061 O\n0.685835 0.877980 0.091156 O\n0.321367 0.114470 0.103612 O\n0.123063 0.342487 0.111852 O\n0.883322 0.344191 0.102993 O\n0.321630 0.877455 0.101524 O\n0.499610 0.209789 0.009860 O\n0.782961 0.499426 0.986902 O\n0.697387 0.698834 0.977876 O\n",
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"elements": [
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"formula_full": "Na8 Al11 Si13 Ag3 O48",
"formula_reduced": "Na8Al11Si13(AgO16)3",
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"updated_at": "2021-11-28T01:35:24.008000Z",
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},
{
"id": "mp-690919",
"created_at": "2022-09-04T14:46:36.156331Z",
"structure_string": "Na8 Al11 Si13 Ag3 O48\n1.0\n12.313110 0.000000 0.000000\n-0.027971 12.403657 0.000000\n-0.126026 -0.047145 12.640250\nNa Al Si Ag O\n8 11 13 3 48\ndirect\n0.793970 0.783353 0.212351 Na\n0.212109 0.789781 0.213507 Na\n0.005051 0.386704 0.558022 Na\n0.000218 0.609711 0.568140 Na\n0.787901 0.202925 0.781677 Na\n0.212684 0.203889 0.783457 Na\n0.792208 0.796278 0.781551 Na\n0.523124 0.466196 0.483273 Na\n0.999422 0.368148 0.180654 Al\n0.187028 0.997967 0.365715 Al\n0.000757 0.815978 0.367742 Al\n0.807882 0.001162 0.623733 Al\n0.998015 0.177360 0.630196 Al\n0.190613 0.002880 0.625963 Al\n0.996313 0.819974 0.628425 Al\n0.365386 0.997592 0.825747 Al\n0.999672 0.371416 0.818707 Al\n0.998665 0.631895 0.820203 Al\n0.632495 0.998168 0.822595 Al\n0.630172 0.814324 0.003408 Si\n0.369996 0.814181 0.002963 Si\n0.373933 0.999811 0.177407 Si\n0.000548 0.627808 0.178509 Si\n0.632655 0.001538 0.177376 Si\n0.815303 0.998963 0.366727 Si\n0.998458 0.184464 0.369472 Si\n0.630433 0.184849 0.000492 Si\n0.371063 0.185263 0.000177 Si\n0.811824 0.369644 0.000704 Si\n0.188066 0.370554 0.002034 Si\n0.814397 0.628270 0.000440 Si\n0.184517 0.628579 0.004016 Si\n0.778753 0.231603 0.235116 Ag\n0.178817 0.179535 0.184311 Ag\n0.943237 0.084294 0.042567 Ag\n0.696996 0.300003 0.006775 O\n0.781049 0.499421 0.003699 O\n0.501146 0.215274 0.005216 O\n0.302050 0.298931 0.009606 O\n0.703698 0.703263 0.018469 O\n0.219914 0.499832 0.008673 O\n0.501032 0.780932 0.009116 O\n0.296608 0.702891 0.019598 O\n0.660314 0.113859 0.111170 O\n0.877200 0.336088 0.109950 O\n0.346237 0.110220 0.107362 O\n0.889389 0.656805 0.106674 O\n0.118259 0.336989 0.107935 O\n0.661312 0.888523 0.112699 O\n0.114300 0.657785 0.114011 O\n0.346518 0.885289 0.114268 O\n0.504361 0.000841 0.205663 O\n0.000597 0.503471 0.211289 O\n0.707863 0.004727 0.282986 O\n0.990111 0.293296 0.297218 O\n0.300574 0.004100 0.279320 O\n0.990939 0.703654 0.280698 O\n0.885733 0.112177 0.337403 O\n0.105693 0.115915 0.334399 O\n0.880961 0.891408 0.330552 O\n0.115846 0.883504 0.326422 O\n0.777223 0.001837 0.485203 O\n0.998408 0.222166 0.492025 O\n0.225936 0.000709 0.494433 O\n0.997155 0.767782 0.496070 O\n0.875744 0.119463 0.656215 O\n0.117483 0.116862 0.661899 O\n0.878761 0.886713 0.657380 O\n0.115491 0.888616 0.655658 O\n0.699769 0.999170 0.707551 O\n0.300526 0.016056 0.709068 O\n0.998960 0.298112 0.702507 O\n0.986026 0.705241 0.706798 O\n0.499173 0.002697 0.802647 O\n0.997017 0.501119 0.771354 O\n0.670533 0.117720 0.899865 O\n0.331426 0.120649 0.897827 O\n0.879257 0.337551 0.895460 O\n0.121051 0.339362 0.894941 O\n0.875399 0.661973 0.894139 O\n0.113396 0.656686 0.902794 O\n0.667451 0.878671 0.900453 O\n0.335734 0.882491 0.903864 O\n",
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"formula_full": "Na8 Al11 Si13 Ag3 O48",
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{
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"created_at": "2022-09-04T14:45:04.673496Z",
"structure_string": "Mg16 Al12 Ag1\n1.0\n7.383382 5.253812 0.000000\n-7.383382 5.253812 0.000000\n0.000000 5.224160 7.432547\nMg Al Ag\n16 12 1\ndirect\n0.361147 0.361147 0.661373 Mg\n0.002624 0.002624 0.996902 Mg\n0.997256 0.997256 0.344026 Mg\n0.309530 0.309530 0.293139 Mg\n0.406415 0.675719 0.994952 Mg\n0.284130 0.596691 0.400867 Mg\n0.684564 0.000499 0.601442 Mg\n0.650266 0.999795 0.997468 Mg\n0.319184 0.707051 0.687101 Mg\n0.997085 0.397848 0.318435 Mg\n0.397848 0.997085 0.318435 Mg\n0.707051 0.319184 0.687101 Mg\n0.999795 0.650266 0.997468 Mg\n0.000499 0.684564 0.601442 Mg\n0.596691 0.284130 0.400867 Mg\n0.675719 0.406415 0.994952 Mg\n0.815737 0.815737 0.817783 Al\n0.634144 0.634144 0.179478 Al\n0.176752 0.359264 0.007786 Al\n0.632220 0.817616 0.363988 Al\n0.999114 0.184821 0.636788 Al\n0.995521 0.364910 0.818971 Al\n0.808914 0.179898 0.186421 Al\n0.179898 0.808914 0.186421 Al\n0.364910 0.995521 0.818971 Al\n0.184821 0.999114 0.636788 Al\n0.817616 0.632220 0.363988 Al\n0.359264 0.176752 0.007786 Al\n0.641291 0.641291 0.678857 Ag\n",
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"formula_full": "Mg16 Al12 Ag1",
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"updated_at": "2021-11-28T01:36:51.426000Z",
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{
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"updated_at": "2021-11-28T01:36:35.278000Z",
"spacegroup": 225
},
{
"id": "mp-31168",
"created_at": "2022-09-04T14:41:08.421463Z",
"structure_string": "Li2 Al1 Ag1\n1.0\n0.000000 3.158581 3.158581\n3.158581 0.000000 3.158581\n3.158581 3.158581 0.000000\nLi Al Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Li",
"density": 3.9187422622260746,
"density_atomic": 0.06346787238710229,
"volume": 63.02401277300206,
"volume_molar": 9.48848690447641,
"formula_full": "Li2 Al1 Ag1",
"formula_reduced": "Li2AlAg",
"formula_anonymous": "ABC2",
"energy": -11.38134082,
"energy_per_atom": -2.845335205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.38134082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035625,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.693000Z",
"spacegroup": 216
}
]
}