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{
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"results": [
{
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"formula_full": "Mg16 Al12 Ag1",
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{
"id": "mp-1185643",
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"structure_string": "Mg16 Al12 Ag1\n1.0\n7.549465 -4.358685 3.082057\n-0.056401 8.554555 2.989954\n-7.436662 -4.228431 2.989954\nMg Al Ag\n16 12 1\ndirect\n0.590607 0.293523 0.000000 Mg\n0.002301 0.347671 0.000000 Mg\n0.997138 0.000000 0.000000 Mg\n0.316776 0.601520 0.000000 Mg\n0.682579 0.680480 0.279177 Mg\n0.590607 0.000000 0.293524 Mg\n0.002099 0.598697 0.319520 Mg\n0.002302 0.000000 0.347671 Mg\n0.715256 0.398481 0.398481 Mg\n0.403402 0.720823 0.401303 Mg\n0.002099 0.319520 0.598697 Mg\n0.316775 0.000000 0.601520 Mg\n0.654629 0.652328 0.652328 Mg\n0.682579 0.279177 0.680480 Mg\n0.297083 0.706476 0.706476 Mg\n0.403402 0.401303 0.720823 Mg\n0.643093 0.812431 0.000000 Al\n0.815249 0.624663 0.000000 Al\n0.367090 0.368248 0.183795 Al\n0.183294 0.816204 0.184453 Al\n0.830662 0.187569 0.187570 Al\n0.367090 0.183795 0.368248 Al\n0.190585 0.375338 0.375338 Al\n0.815249 0.000000 0.624663 Al\n0.998842 0.815547 0.631753 Al\n0.643093 0.000000 0.812431 Al\n0.998842 0.631753 0.815548 Al\n0.183294 0.184453 0.816204 Al\n0.303988 0.000000 0.000001 Ag\n",
"nsites": 29,
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"elements": [
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],
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"formula_full": "Mg16 Al12 Ag1",
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"updated_at": "2021-11-28T01:35:21.244000Z",
"spacegroup": 160
},
{
"id": "mp-31506",
"created_at": "2022-09-04T14:44:51.495467Z",
"structure_string": "Mg32 Al36 Ag13\n1.0\n-7.267698 7.267698 7.267698\n7.267698 -7.267698 7.267698\n7.267698 7.267698 -7.267698\nMg Al Ag\n32 36 13\ndirect\n0.000000 0.000000 0.624179 Mg\n0.902827 0.402827 0.500000 Mg\n0.597173 0.500000 0.097173 Mg\n0.500000 0.097173 0.597173 Mg\n0.402827 0.500000 0.902827 Mg\n0.500000 0.902827 0.402827 Mg\n0.097173 0.597173 0.500000 Mg\n0.697332 0.197332 0.500000 Mg\n0.802668 0.500000 0.302668 Mg\n0.500000 0.302668 0.802668 Mg\n0.197332 0.500000 0.697332 Mg\n0.500000 0.697332 0.197332 Mg\n0.302668 0.802668 0.500000 Mg\n0.375821 0.375821 0.375821 Mg\n0.624179 0.000000 0.000000 Mg\n0.000000 0.624179 0.000000 Mg\n0.883599 0.694895 0.578494 Mg\n0.624179 0.624179 0.624179 Mg\n0.375821 0.000000 0.000000 Mg\n0.000000 0.375821 0.000000 Mg\n0.000000 0.000000 0.375821 Mg\n0.883599 0.305105 0.188705 Mg\n0.116401 0.694895 0.811295 Mg\n0.305105 0.421506 0.116401 Mg\n0.421506 0.116401 0.305105 Mg\n0.578494 0.883599 0.694895 Mg\n0.305105 0.188705 0.883599 Mg\n0.811295 0.116401 0.694895 Mg\n0.694895 0.578494 0.883599 Mg\n0.188705 0.883599 0.305105 Mg\n0.694895 0.811295 0.116401 Mg\n0.116401 0.305105 0.421506 Mg\n0.243629 0.029448 0.593868 Al\n0.564421 0.970552 0.214181 Al\n0.756371 0.350240 0.785819 Al\n0.649760 0.406132 0.435579 Al\n0.406132 0.435579 0.649760 Al\n0.593868 0.243629 0.029448 Al\n0.970552 0.214181 0.564421 Al\n0.785819 0.756371 0.350240 Al\n0.029448 0.593868 0.243629 Al\n0.214181 0.564421 0.970552 Al\n0.350240 0.785819 0.756371 Al\n0.435579 0.649760 0.406132 Al\n0.756371 0.970552 0.406132 Al\n0.842119 0.098502 0.940621 Al\n0.157881 0.901498 0.059379 Al\n0.098502 0.256383 0.157881 Al\n0.256383 0.157881 0.098502 Al\n0.743617 0.842119 0.901498 Al\n0.098502 0.940621 0.842119 Al\n0.059379 0.157881 0.901498 Al\n0.901498 0.743617 0.842119 Al\n0.940621 0.842119 0.098502 Al\n0.901498 0.059379 0.157881 Al\n0.157881 0.098502 0.256383 Al\n0.842119 0.901498 0.743617 Al\n0.564421 0.350240 0.593868 Al\n0.649760 0.214181 0.243629 Al\n0.785819 0.435579 0.029448 Al\n0.435579 0.029448 0.785819 Al\n0.214181 0.243629 0.649760 Al\n0.029448 0.785819 0.435579 Al\n0.406132 0.756371 0.970552 Al\n0.593868 0.564421 0.350240 Al\n0.350240 0.593868 0.564421 Al\n0.243629 0.649760 0.214181 Al\n0.970552 0.406132 0.756371 Al\n0.685266 0.823747 0.509013 Ag\n0.685266 0.176253 0.861518 Ag\n0.314734 0.823747 0.138482 Ag\n0.176253 0.490987 0.314734 Ag\n0.490987 0.314734 0.176253 Ag\n0.509013 0.685266 0.823747 Ag\n0.176253 0.861518 0.685266 Ag\n0.138482 0.314734 0.823747 Ag\n0.823747 0.509013 0.685266 Ag\n0.861518 0.685266 0.176253 Ag\n0.823747 0.138482 0.314734 Ag\n0.314734 0.176253 0.490987 Ag\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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],
"chemical_system": "Ag-Al-Mg",
"density": 3.407999618166977,
"density_atomic": 0.05275145102439158,
"volume": 1535.502785744162,
"volume_molar": 11.416066559411686,
"formula_full": "Mg32 Al36 Ag13",
"formula_reduced": "Mg32Al36Ag13",
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},
{
"id": "mp-865919",
"created_at": "2022-09-04T14:41:09.334344Z",
"structure_string": "Mg1 Al1 Ag2\n1.0\n0.000000 3.265457 3.265457\n3.265457 0.000000 3.265457\n3.265457 3.265457 0.000000\nMg Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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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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"updated_at": "2021-11-28T01:37:41.485000Z",
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},
{
"id": "mp-1254365",
"created_at": "2022-09-04T14:42:49.014421Z",
"structure_string": "Na8 Al11 Si13 Ag3 O48\n1.0\n12.675282 0.022788 0.108272\n0.021334 12.466212 0.011353\n0.114084 0.010693 11.813302\nNa Al Si Ag O\n8 11 13 3 48\ndirect\n0.206507 0.201979 0.194027 Na\n0.586158 0.996897 0.536833 Na\n0.583930 0.377115 0.916187 Na\n0.593669 0.606363 0.061530 Na\n0.795428 0.200708 0.828382 Na\n0.773863 0.216129 0.195764 Na\n0.789545 0.794888 0.182308 Na\n0.779424 0.804362 0.817968 Na\n0.181032 0.367926 0.001244 Al\n0.378929 0.002151 0.797006 Al\n0.379763 0.808745 0.999453 Al\n0.612728 0.999043 0.222659 Al\n0.623792 0.173266 0.008170 Al\n0.619164 0.003739 0.794994 Al\n0.622251 0.826423 0.011498 Al\n0.821666 0.999490 0.370542 Al\n0.838567 0.994861 0.641882 Al\n0.813347 0.380056 0.003788 Al\n0.819072 0.626781 0.994934 Al\n0.979633 0.182156 0.366248 Si\n0.996987 0.375981 0.194420 Si\n0.988387 0.181795 0.634776 Si\n0.002021 0.622747 0.190022 Si\n0.005000 0.372714 0.809570 Si\n0.989317 0.821108 0.362967 Si\n0.009363 0.624516 0.807075 Si\n0.001139 0.815909 0.632920 Si\n0.170661 0.004082 0.624757 Si\n0.184115 0.624552 0.998163 Si\n0.160901 0.006298 0.360607 Si\n0.368716 0.000517 0.192162 Si\n0.377856 0.187256 0.999806 Si\n0.214075 0.807371 0.803845 Ag\n0.206902 0.192837 0.805015 Ag\n0.205883 0.796013 0.194092 Ag\n0.994761 0.299642 0.307333 O\n0.010020 0.500584 0.238495 O\n0.002192 0.298875 0.694922 O\n0.008137 0.706753 0.296426 O\n0.991321 0.791757 0.497477 O\n0.099017 0.112181 0.651572 O\n0.109434 0.649844 0.113219 O\n0.112255 0.656547 0.885725 O\n0.108593 0.890096 0.653656 O\n0.090674 0.114274 0.335300 O\n0.101318 0.339954 0.121492 O\n0.110521 0.334436 0.877658 O\n0.097344 0.894596 0.331185 O\n0.199918 0.003149 0.489790 O\n0.219068 0.501226 0.994308 O\n0.262317 0.018262 0.276893 O\n0.287532 0.280228 0.017147 O\n0.280950 0.706673 0.004426 O\n0.272559 0.012604 0.700298 O\n0.356498 0.107619 0.110706 O\n0.354999 0.119842 0.884029 O\n0.345190 0.890536 0.121903 O\n0.353286 0.885949 0.878469 O\n0.495010 0.239669 0.001965 O\n0.497389 0.007055 0.724256 O\n0.474569 0.001205 0.263133 O\n0.502897 0.751040 0.014075 O\n0.641386 0.112131 0.137995 O\n0.644251 0.120831 0.873294 O\n0.642154 0.884075 0.144191 O\n0.639092 0.896048 0.886372 O\n0.686197 0.000635 0.350118 O\n0.714620 0.283729 0.003543 O\n0.725057 0.726423 0.006199 O\n0.707929 0.988791 0.678820 O\n0.875234 0.998034 0.502349 O\n0.748446 0.504775 0.994666 O\n0.894466 0.116665 0.697780 O\n0.897007 0.642498 0.118303 O\n0.899034 0.650200 0.872136 O\n0.902146 0.874461 0.694277 O\n0.880611 0.120963 0.311654 O\n0.887055 0.361006 0.128282 O\n0.896878 0.355491 0.882859 O\n0.886573 0.879677 0.312348 O\n0.974474 0.207572 0.501059 O\n0.018966 0.498589 0.770246 O\n0.024067 0.699634 0.693642 O\n",
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"formula_full": "Na8 Al11 Si13 Ag3 O48",
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},
{
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"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",
"nsites": 83,
"nelements": 5,
"elements": [
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"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Na-O-Si",
"density": 1.6840529918356753,
"density_atomic": 0.04344751276799655,
"volume": 1910.3510123400624,
"volume_molar": 13.86072614134982,
"formula_full": "Na8 Al11 Si13 Ag3 O48",
"formula_reduced": "Na8Al11Si13(AgO16)3",
"formula_anonymous": "A3B8C11D13E48",
"energy": -611.91910033,
"energy_per_atom": -7.372519281084338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -578.94310033,
"band_gap": 2.167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.008000Z",
"spacegroup": 1
},
{
"id": "mp-1186292",
"created_at": "2022-09-04T14:40:52.687250Z",
"structure_string": "Nd1 Al1 Ag2\n1.0\n0.000000 3.495531 3.495531\n3.495531 0.000000 3.495531\n3.495531 3.495531 0.000000\nNd Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Al-Nd",
"density": 7.5222131116155095,
"density_atomic": 0.04682637315316221,
"volume": 85.42194773267163,
"volume_molar": 12.860574830987785,
"formula_full": "Nd1 Al1 Ag2",
"formula_reduced": "NdAlAg2",
"formula_anonymous": "ABC2",
"energy": -15.35553856,
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"formation_energy": null,
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"energy_uncorrected": -15.35553856,
"band_gap": 0.0,
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"total_magnetization": 0.00104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.851000Z",
"spacegroup": 225
}
]
}