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{
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{
"id": "mp-1200633",
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"structure_string": "Ag2 H24 C8 Se10 N2\n1.0\n9.491866 5.793110 0.000000\n-9.491866 5.793110 0.000000\n0.000000 4.316041 6.240029\nAg H C Se N\n2 24 8 10 2\ndirect\n0.371086 0.332598 0.689661 Ag\n0.332598 0.371086 0.189661 Ag\n0.317522 0.037758 0.167980 H\n0.037758 0.317522 0.667980 H\n0.359602 0.921302 0.079654 H\n0.921302 0.359602 0.579654 H\n0.303848 0.029160 0.940962 H\n0.029160 0.303848 0.440962 H\n0.103073 0.790663 0.987162 H\n0.790663 0.103073 0.487162 H\n0.152100 0.679512 0.133709 H\n0.679512 0.152100 0.633709 H\n0.953419 0.620101 0.250956 H\n0.620101 0.953419 0.750956 H\n0.166892 0.694060 0.444056 H\n0.694060 0.166892 0.944056 H\n0.124320 0.813950 0.522805 H\n0.813950 0.124320 0.022805 H\n0.967472 0.633653 0.565918 H\n0.633653 0.967472 0.065918 H\n0.891548 0.769163 0.377757 H\n0.769163 0.891548 0.877757 H\n0.045006 0.946582 0.346545 H\n0.946582 0.045006 0.846545 H\n0.034942 0.944285 0.115556 H\n0.944285 0.034942 0.615556 H\n0.287367 0.963427 0.097023 C\n0.963427 0.287367 0.597023 C\n0.078415 0.720238 0.146891 C\n0.720238 0.078415 0.646891 C\n0.092434 0.733694 0.460569 C\n0.733694 0.092434 0.960569 C\n0.014168 0.874526 0.272874 C\n0.874526 0.014168 0.772874 C\n0.145210 0.276526 0.032211 Se\n0.276526 0.145210 0.532211 Se\n0.144335 0.496026 0.877134 Se\n0.496026 0.144335 0.377134 Se\n0.412065 0.712697 0.638925 Se\n0.712697 0.412065 0.138925 Se\n0.508154 0.641020 0.394432 Se\n0.641020 0.508154 0.894432 Se\n0.641214 0.400247 0.668493 Se\n0.400247 0.641214 0.168493 Se\n0.118133 0.822687 0.243826 N\n0.822687 0.118133 0.743826 N\n",
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],
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"volume_molar": 8.98406836148205,
"formula_full": "Ag2 H24 C8 Se10 N2",
"formula_reduced": "AgH12C4Se5N",
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{
"id": "mp-1200476",
"created_at": "2022-09-04T14:46:01.538932Z",
"structure_string": "Ag2 H28 C6 S6 N12 Cl2 O2\n1.0\n6.263995 0.000000 0.000000\n-2.099613 9.911528 0.000000\n-0.371404 -2.191343 11.121255\nAg H C S N Cl O\n2 28 6 6 12 2 2\ndirect\n0.372493 0.464932 0.613918 Ag\n0.627507 0.535068 0.386082 Ag\n0.822771 0.164015 0.570464 H\n0.177229 0.835985 0.429536 H\n0.680267 0.291646 0.625003 H\n0.319733 0.708354 0.374997 H\n0.728853 0.037194 0.368419 H\n0.271147 0.962806 0.631581 H\n0.505739 0.068395 0.287818 H\n0.494261 0.931605 0.712182 H\n0.981044 0.267674 0.876444 H\n0.018956 0.732326 0.123556 H\n0.088133 0.414730 0.819280 H\n0.911867 0.585270 0.180720 H\n0.200818 0.126208 0.918279 H\n0.799182 0.873792 0.081721 H\n0.475898 0.154912 0.884350 H\n0.524102 0.845088 0.115650 H\n0.018831 0.845998 0.902226 H\n0.981169 0.154002 0.097774 H\n0.843212 0.765043 0.774297 H\n0.156788 0.234957 0.225703 H\n0.337516 0.775899 0.935435 H\n0.662484 0.224101 0.064565 H\n0.395423 0.630944 0.841950 H\n0.604577 0.369056 0.158050 H\n0.943142 0.041996 0.712949 H\n0.056858 0.958004 0.287051 H\n0.892122 0.938398 0.592453 H\n0.107878 0.061602 0.407547 H\n0.580798 0.190210 0.453880 C\n0.419202 0.809790 0.546120 C\n0.311957 0.304730 0.855686 C\n0.688043 0.695270 0.144314 C\n0.111458 0.683843 0.793589 C\n0.888542 0.316157 0.206411 C\n0.375614 0.277574 0.433326 S\n0.624386 0.722426 0.566674 S\n0.536456 0.408763 0.810887 S\n0.463544 0.591237 0.189113 S\n0.034457 0.556765 0.668200 S\n0.965543 0.443235 0.331800 S\n0.711585 0.221568 0.554525 N\n0.288415 0.778432 0.445475 N\n0.603759 0.088327 0.365334 N\n0.396241 0.911673 0.634666 N\n0.115572 0.337405 0.860261 N\n0.884428 0.662595 0.139739 N\n0.332869 0.188598 0.892033 N\n0.667131 0.811402 0.107967 N\n0.977273 0.768384 0.828888 N\n0.022727 0.231616 0.171112 N\n0.301445 0.702587 0.858875 N\n0.698555 0.297413 0.141125 N\n0.228758 0.946700 0.104918 Cl\n0.771242 0.053300 0.895082 Cl\n0.985742 0.028424 0.629266 O\n0.014258 0.971576 0.370734 O\n",
"nsites": 58,
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"elements": [
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],
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"volume_molar": 7.169167415722507,
"formula_full": "Ag2 H28 C6 S6 N12 Cl2 O2",
"formula_reduced": "AgH14C3S3N6ClO",
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"updated_at": "2021-11-28T01:37:11.524000Z",
"spacegroup": 2
},
{
"id": "mp-996958",
"created_at": "2022-09-04T14:47:46.971663Z",
"structure_string": "Ag2 H2 O4\n1.0\n3.694166 4.238155 0.000000\n-3.694166 4.238155 0.000000\n0.000000 1.736699 3.543196\nAg H O\n2 2 4\ndirect\n0.993090 0.492900 0.823410 Ag\n0.492900 0.993090 0.823410 Ag\n0.021810 0.021810 0.239080 H\n0.966370 0.966370 0.789950 H\n0.108505 0.108505 0.961520 O\n0.385840 0.561090 0.271450 O\n0.879760 0.879760 0.676220 O\n0.561090 0.385840 0.271450 O\n",
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"formula_full": "Ag2 H2 O4",
"formula_reduced": "AgHO2",
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"updated_at": "2021-11-28T01:38:18.855000Z",
"spacegroup": 8
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{
"id": "mp-555477",
"created_at": "2022-09-04T14:42:50.124635Z",
"structure_string": "Ag2 H3 I1 O6\n1.0\n4.522909 -3.005022 0.000000\n4.522909 3.005022 0.000000\n2.526372 0.000000 4.806694\nAg H I O\n2 3 1 6\ndirect\n0.616359 0.616359 0.616359 Ag\n0.383641 0.383641 0.383641 Ag\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 I\n0.841327 0.368132 0.046970 O\n0.046970 0.841327 0.368132 O\n0.158673 0.631868 0.953030 O\n0.953030 0.158673 0.631868 O\n0.631868 0.953030 0.158673 O\n0.368132 0.046970 0.841327 O\n",
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"formula_full": "Ag2 H3 I1 O6",
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"energy": -56.64162307,
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{
"id": "mp-1202475",
"created_at": "2022-09-04T14:39:34.577140Z",
"structure_string": "Ag2 H48 C18 S6 N12 Cl2 O8\n1.0\n10.036843 0.000000 0.000000\n-1.058948 10.236707 0.000000\n-2.988439 -0.476201 10.505488\nAg H C S N Cl O\n2 48 18 6 12 2 8\ndirect\n0.533361 0.152745 0.451142 Ag\n0.466639 0.847255 0.548858 Ag\n0.746808 0.886358 0.735680 H\n0.253192 0.113642 0.264320 H\n0.255957 0.278854 0.715753 H\n0.744043 0.721146 0.284247 H\n0.590539 0.119473 0.223424 H\n0.409461 0.880527 0.776576 H\n0.921142 0.203701 0.808320 H\n0.078858 0.796299 0.191680 H\n0.478524 0.505057 0.607896 H\n0.521476 0.494943 0.392104 H\n0.845175 0.329283 0.139999 H\n0.154825 0.670717 0.860001 H\n0.002638 0.015440 0.898586 H\n0.997362 0.984560 0.101414 H\n0.006161 0.030130 0.737578 H\n0.993839 0.969870 0.262422 H\n0.980050 0.872014 0.798609 H\n0.019950 0.127986 0.201391 H\n0.826837 0.394615 0.832127 H\n0.173163 0.605385 0.167873 H\n0.654177 0.314666 0.774045 H\n0.345823 0.685334 0.225955 H\n0.750703 0.360696 0.664482 H\n0.249297 0.639304 0.335518 H\n0.167599 0.072194 0.640503 H\n0.832401 0.927806 0.359497 H\n0.236603 0.087681 0.507861 H\n0.763397 0.912319 0.492139 H\n0.077470 0.154244 0.504952 H\n0.922530 0.845756 0.495048 H\n0.500694 0.552089 0.817200 H\n0.499306 0.447911 0.182800 H\n0.462505 0.382707 0.838231 H\n0.537495 0.617293 0.161769 H\n0.324433 0.483458 0.794332 H\n0.675567 0.516542 0.205668 H\n0.536102 0.124962 0.005506 H\n0.463898 0.875038 0.994494 H\n0.717890 0.119853 0.025021 H\n0.282110 0.880147 0.974979 H\n0.645600 0.272883 0.015579 H\n0.354400 0.727117 0.984421 H\n0.936417 0.503087 0.338816 H\n0.063583 0.496913 0.661184 H\n0.021819 0.365563 0.403851 H\n0.978181 0.634437 0.596149 H\n0.049925 0.431585 0.262333 H\n0.950075 0.568415 0.737667 H\n0.740115 0.081503 0.744524 C\n0.259885 0.918497 0.255476 C\n0.956869 0.973421 0.801120 C\n0.043131 0.026579 0.198880 C\n0.758590 0.324229 0.760106 C\n0.241410 0.675771 0.239894 C\n0.343341 0.339174 0.575052 C\n0.656659 0.660826 0.424948 C\n0.181112 0.137043 0.565218 C\n0.818888 0.862957 0.434782 C\n0.425844 0.465830 0.780901 C\n0.574156 0.534170 0.219099 C\n0.763663 0.247659 0.276522 C\n0.236337 0.752341 0.723478 C\n0.640246 0.173919 0.052049 C\n0.359754 0.826081 0.947951 C\n0.972719 0.410998 0.315255 C\n0.027281 0.589002 0.684745 C\n0.560061 0.067840 0.687361 S\n0.439939 0.932160 0.312639 S\n0.351852 0.318630 0.420237 S\n0.648148 0.681370 0.579763 S\n0.775557 0.240994 0.435367 S\n0.224443 0.759006 0.564633 S\n0.806657 0.973877 0.760828 N\n0.193343 0.026123 0.239172 N\n0.814934 0.198877 0.775006 N\n0.185066 0.801123 0.224994 N\n0.262231 0.257261 0.626006 N\n0.737769 0.742739 0.373994 N\n0.418714 0.441441 0.648006 N\n0.581286 0.558559 0.351994 N\n0.658755 0.177539 0.188567 N\n0.341245 0.822461 0.811433 N\n0.859610 0.321897 0.235439 N\n0.140390 0.678103 0.764561 N\n0.819379 0.676062 0.012120 Cl\n0.180621 0.323938 0.987880 Cl\n0.859229 0.728792 0.145915 O\n0.140771 0.271208 0.854085 O\n0.776312 0.535915 0.009423 O\n0.223688 0.464085 0.990577 O\n0.940974 0.699619 0.963067 O\n0.059026 0.300381 0.036933 O\n0.704777 0.742394 0.936811 O\n0.295223 0.257606 0.063189 O\n",
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"volume_molar": 6.771007643443834,
"formula_full": "Ag2 H48 C18 S6 N12 Cl2 O8",
"formula_reduced": "AgH24C9S3N6ClO4",
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"energy": -532.4970723399999,
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"updated_at": "2021-11-28T01:34:43.639000Z",
"spacegroup": 2
},
{
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"elements": [
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],
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"formula_full": "Ag2 H56 S16 Br4 N18 O24",
"formula_reduced": "AgH28S8Br2(N3O4)3",
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"updated_at": "2021-11-28T01:36:44.361000Z",
"spacegroup": 122
},
{
"id": "mp-1102571",
"created_at": "2022-09-04T14:48:16.116316Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n6.128634 0.000000 0.000000\n0.000000 4.374966 0.000000\n0.000000 0.933854 6.863555\nAg H Br N\n2 6 2 2\ndirect\n0.750000 0.326646 0.032164 Ag\n0.250000 0.673354 0.967836 Ag\n0.750000 0.366539 0.425126 H\n0.250000 0.633461 0.574874 H\n0.884730 0.668588 0.311822 H\n0.384730 0.331412 0.688178 H\n0.115270 0.331412 0.688178 H\n0.615270 0.668588 0.311822 H\n0.750000 0.982431 0.766387 Br\n0.250000 0.017569 0.233613 Br\n0.750000 0.530974 0.304829 N\n0.250000 0.469026 0.695171 N\n",
"nsites": 12,
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"elements": [
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"volume": 184.02951715231907,
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"formula_full": "Ag2 H6 Br2 N2",
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{
"id": "mp-849798",
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"structure_string": "Ag2 H72 S16 Br4 N18 O24\n1.0\n-6.652583 6.652583 8.274276\n6.652583 -6.652583 8.274276\n6.652583 6.652583 -8.274276\nAg H S Br N O\n2 72 16 4 18 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.807026 0.090580 0.103570 H\n0.827892 0.050680 0.222863 H\n0.922183 0.199320 0.277212 H\n0.797498 0.335890 0.021857 H\n0.952502 0.474358 0.038391 H\n0.762990 0.159420 0.216446 H\n0.690118 0.278330 0.048845 H\n0.909420 0.012990 0.716446 H\n0.840580 0.057026 0.603570 H\n0.277444 0.187308 0.006457 H\n0.747910 0.658434 0.007599 H\n0.800680 0.077892 0.722863 H\n0.949320 0.172183 0.777212 H\n0.355029 0.077817 0.277137 H\n0.394971 0.172108 0.222788 H\n0.527418 0.468369 0.068260 H\n0.569149 0.062692 0.590136 H\n0.341566 0.349164 0.089476 H\n0.937308 0.527444 0.506457 H\n0.812692 0.819149 0.090136 H\n0.531631 0.599891 0.059049 H\n0.453456 0.237010 0.396430 H\n0.296544 0.192974 0.283554 H\n0.688536 0.608541 0.332307 H\n0.934369 0.936879 0.396773 H\n0.815631 0.712404 0.502510 H\n0.942974 0.546544 0.783554 H\n0.391459 0.723767 0.079995 H\n0.686879 0.184369 0.896773 H\n0.063121 0.459894 0.997490 H\n0.922108 0.644971 0.722788 H\n0.721670 0.770515 0.411788 H\n0.085890 0.047498 0.521857 H\n0.664110 0.685967 0.461609 H\n0.525642 0.564033 0.478143 H\n0.224358 0.202502 0.538391 H\n0.391274 0.479485 0.451155 H\n0.358726 0.309882 0.588212 H\n0.827817 0.605029 0.777137 H\n0.462404 0.065631 0.002510 H\n0.287596 0.790106 0.103227 H\n0.643772 0.311464 0.920005 H\n0.106228 0.526233 0.167693 H\n0.987010 0.703456 0.896430 H\n0.540106 0.537596 0.603227 H\n0.209894 0.313121 0.497490 H\n0.059882 0.608726 0.088212 H\n0.276233 0.356228 0.667693 H\n0.473767 0.641459 0.579995 H\n0.209158 0.650109 0.431740 H\n0.540842 0.472582 0.940951 H\n0.020988 0.430851 0.493543 H\n0.729012 0.722556 0.909864 H\n0.259689 0.252090 0.910524 H\n0.490311 0.900836 0.492401 H\n0.472556 0.979012 0.409864 H\n0.002090 0.509689 0.410524 H\n0.400109 0.459158 0.931740 H\n0.349891 0.781631 0.559049 H\n0.222582 0.790842 0.440951 H\n0.099164 0.591566 0.589476 H\n0.650836 0.740311 0.992401 H\n0.180851 0.270988 0.993543 H\n0.408434 0.997910 0.507599 H\n0.218369 0.777418 0.568260 H\n0.061464 0.893772 0.420005 H\n0.520515 0.971670 0.911788 H\n0.229485 0.641274 0.951155 H\n0.358541 0.938536 0.832307 H\n0.435967 0.914110 0.961609 H\n0.314033 0.775642 0.978143 H\n0.028330 0.940118 0.548845 H\n0.995996 0.224495 0.057402 S\n0.582906 0.025505 0.271501 S\n0.974495 0.245996 0.557402 S\n0.061406 0.004004 0.228499 S\n0.688594 0.417094 0.442598 S\n0.754004 0.311406 0.728499 S\n0.775505 0.832906 0.771501 S\n0.167094 0.938594 0.942598 S\n0.603697 0.328514 0.229779 S\n0.626082 0.396303 0.724817 S\n0.123918 0.348735 0.270221 S\n0.671486 0.901265 0.275183 S\n0.146303 0.876082 0.224817 S\n0.098735 0.373918 0.770221 S\n0.651265 0.921486 0.775183 S\n0.078514 0.853697 0.729779 S\n0.875000 0.614304 0.239304 Br\n0.385696 0.625000 0.260696 Br\n0.364304 0.125000 0.739304 Br\n0.375000 0.635696 0.760696 Br\n0.831465 0.125000 0.206465 N\n0.875000 0.081465 0.706465 N\n0.264447 0.264447 0.000000 N\n0.500000 0.500000 0.000000 N\n0.735553 0.735553 0.000000 N\n0.375000 0.168535 0.293535 N\n0.723626 0.694656 0.426740 N\n0.305344 0.732084 0.028970 N\n0.918535 0.625000 0.793535 N\n0.703114 0.276374 0.971030 N\n0.046886 0.517916 0.073260 N\n0.482084 0.555344 0.528970 N\n0.267916 0.296886 0.573260 N\n0.014447 0.514447 0.500000 N\n0.485553 0.985553 0.500000 N\n0.250000 0.750000 0.500000 N\n0.026374 0.953114 0.471030 N\n0.444656 0.973626 0.926740 N\n0.693320 0.282722 0.191210 O\n0.481530 0.214964 0.152132 O\n0.573680 0.424053 0.194981 O\n0.687168 0.035036 0.766566 O\n0.575947 0.770928 0.149627 O\n0.252109 0.341512 0.308790 O\n0.497891 0.306680 0.589403 O\n0.964964 0.731530 0.652132 O\n0.785036 0.937168 0.266566 O\n0.079397 0.312832 0.347868 O\n0.670603 0.518470 0.733434 O\n0.717278 0.908488 0.410597 O\n0.621301 0.426320 0.850373 O\n0.128699 0.479072 0.305019 O\n0.056680 0.747891 0.089403 O\n0.268470 0.920603 0.233434 O\n0.229072 0.378699 0.805019 O\n0.520928 0.825947 0.649627 O\n0.176320 0.871301 0.350373 O\n0.062832 0.329397 0.847868 O\n0.091512 0.502109 0.808790 O\n0.658488 0.967278 0.910597 O\n0.174053 0.823680 0.694981 O\n0.032722 0.943320 0.691210 O\n",
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"elements": [
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],
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"density": 1.9919004623972134,
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"formula_reduced": "AgH36S8Br2(N3O4)3",
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"energy": -705.6920258499999,
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},
{
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