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{
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{
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"structure_string": "Ag2 I2 O8\n1.0\n-2.724823 2.724823 6.065571\n2.724823 -2.724823 6.065571\n2.724823 2.724823 -6.065571\nAg I O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.933947 0.319491 0.090492 O\n0.069491 0.478999 0.885543 O\n0.593456 0.183947 0.114457 O\n0.228999 0.843456 0.909508 O\n0.521001 0.406544 0.590492 O\n0.156544 0.066053 0.385543 O\n0.680509 0.771001 0.614457 O\n0.816053 0.930509 0.409508 O\n",
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{
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"structure_string": "Ag2 Mo12 Br26\n1.0\n9.572348 0.000000 0.000000\n-3.827231 8.918957 0.000000\n-3.229578 -3.232086 14.043235\nAg Mo Br\n2 12 26\ndirect\n0.045443 0.275872 0.772205 Ag\n0.954557 0.724128 0.227795 Ag\n0.461688 0.320953 0.415393 Mo\n0.631324 0.456674 0.595267 Mo\n0.549014 0.985496 0.883890 Mo\n0.691516 0.997770 0.062399 Mo\n0.538312 0.679047 0.584607 Mo\n0.450986 0.014504 0.116110 Mo\n0.601432 0.215510 0.024331 Mo\n0.308484 0.002230 0.937601 Mo\n0.368676 0.543326 0.404733 Mo\n0.323844 0.388362 0.540352 Mo\n0.676156 0.611638 0.459648 Mo\n0.398568 0.784490 0.975669 Mo\n0.416141 0.168068 0.550281 Br\n0.510046 0.477815 0.283483 Br\n0.159041 0.254130 0.364040 Br\n0.257826 0.774486 0.800285 Br\n0.644338 0.777994 0.925584 Br\n0.234180 0.611299 0.528471 Br\n0.926799 0.771984 0.404866 Br\n0.744366 0.519077 0.063168 Br\n0.583859 0.831932 0.449719 Br\n0.162276 0.798824 0.029776 Br\n0.395286 0.054851 0.290757 Br\n0.818661 0.407569 0.732786 Br\n0.046025 0.016617 0.850865 Br\n0.255634 0.480923 0.936832 Br\n0.489954 0.522185 0.716517 Br\n0.181339 0.592431 0.267214 Br\n0.953975 0.983383 0.149135 Br\n0.538413 0.798042 0.152059 Br\n0.461587 0.201958 0.847941 Br\n0.073201 0.228016 0.595134 Br\n0.604714 0.945149 0.709243 Br\n0.355662 0.222006 0.074416 Br\n0.765820 0.388701 0.471529 Br\n0.742174 0.225514 0.199715 Br\n0.840959 0.745870 0.635960 Br\n0.837724 0.201176 0.970224 Br\n",
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{
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},
{
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],
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"updated_at": "2021-11-28T01:37:18.712000Z",
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{
"id": "mp-603946",
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"structure_string": "Ag2 Mo8 H44 C16 N6 O30\n1.0\n10.207401 0.000000 0.000000\n-3.699102 -10.080701 0.000000\n-4.980698 0.857679 -10.945889\nAg Mo H C N O\n2 8 44 16 6 30\ndirect\n0.485984 0.969766 0.620899 Ag\n0.514016 0.030234 0.379101 Ag\n0.703187 0.752866 0.577691 Mo\n0.719232 0.820724 0.308905 Mo\n0.087349 0.934573 0.315837 Mo\n0.912651 0.065427 0.684163 Mo\n0.296813 0.247134 0.422309 Mo\n0.069574 0.873192 0.578943 Mo\n0.280768 0.179276 0.691095 Mo\n0.930426 0.126808 0.421057 Mo\n0.930673 0.510048 0.157978 H\n0.397128 0.700946 0.734914 H\n0.047811 0.735751 0.896014 H\n0.660153 0.341472 0.671754 H\n0.621476 0.433492 0.168498 H\n0.707579 0.278597 0.087110 H\n0.905372 0.584692 0.272178 H\n0.162212 0.474526 0.487481 H\n0.627695 0.532221 0.978791 H\n0.364081 0.896888 0.904234 H\n0.468783 0.820444 0.032138 H\n0.197240 0.334312 0.993161 H\n0.094628 0.415308 0.727822 H\n0.288048 0.446296 0.127683 H\n0.339847 0.658528 0.328246 H\n0.556977 0.441218 0.283673 H\n0.711952 0.553704 0.872317 H\n0.327214 0.926347 0.087123 H\n0.837788 0.525474 0.512519 H\n0.912017 0.419369 0.285391 H\n0.308098 0.630043 0.496629 H\n0.069327 0.489952 0.842022 H\n0.742529 0.242413 0.906716 H\n0.881438 0.087662 0.109289 H\n0.952189 0.264249 0.103986 H\n0.372305 0.467779 0.021209 H\n0.691902 0.369957 0.503371 H\n0.785269 0.861631 0.957511 H\n0.087983 0.580631 0.714609 H\n0.292421 0.721403 0.912890 H\n0.802760 0.665688 0.006839 H\n0.378524 0.566508 0.831502 H\n0.870306 0.372521 0.510460 H\n0.129694 0.627479 0.489540 H\n0.672786 0.073653 0.912877 H\n0.052605 0.841717 0.006745 H\n0.443023 0.558782 0.716327 H\n0.602872 0.299054 0.265086 H\n0.531217 0.179556 0.967862 H\n0.257471 0.757587 0.093284 H\n0.635919 0.103112 0.095766 H\n0.947395 0.158283 0.993255 H\n0.118562 0.912338 0.890711 H\n0.214731 0.138369 0.042489 H\n0.041935 0.481896 0.744164 C\n0.815733 0.424341 0.543392 C\n0.692359 0.606758 0.935197 C\n0.782884 0.381195 0.733745 C\n0.553627 0.373979 0.217449 C\n0.645126 0.182203 0.033450 C\n0.665744 0.824914 0.888195 C\n0.354874 0.817797 0.966550 C\n0.110681 0.831282 0.951068 C\n0.446373 0.626021 0.782551 C\n0.334256 0.175086 0.111805 C\n0.184267 0.575659 0.456608 C\n0.958065 0.518104 0.255836 C\n0.217116 0.618805 0.266255 C\n0.307641 0.393242 0.064803 C\n0.889319 0.168718 0.048932 C\n0.875991 0.428576 0.676494 N\n0.124009 0.571424 0.323506 N\n0.395520 0.307606 0.130653 N\n0.604480 0.692394 0.869347 N\n0.731727 0.164937 0.965890 N\n0.268273 0.835063 0.034110 N\n0.548512 0.812962 0.527765 O\n0.434824 0.121820 0.733372 O\n0.826899 0.380012 0.847962 O\n0.258760 0.900266 0.380318 O\n0.009951 0.143660 0.830097 O\n0.645676 0.607299 0.641991 O\n0.871104 0.991037 0.290146 O\n0.565176 0.878180 0.266628 O\n0.061430 0.255554 0.376154 O\n0.972799 0.807556 0.404806 O\n0.677580 0.691798 0.419190 O\n0.938570 0.744446 0.623846 O\n0.164580 0.115798 0.282668 O\n0.322420 0.308202 0.580810 O\n0.173101 0.619988 0.152038 O\n0.354324 0.392701 0.358009 O\n0.451488 0.187038 0.472235 O\n0.234731 0.832442 0.631623 O\n0.401841 0.093998 0.163537 O\n0.598159 0.906002 0.836463 O\n0.027201 0.192444 0.595194 O\n0.128896 0.008963 0.709854 O\n0.677944 0.723278 0.183088 O\n0.856955 0.948318 0.501982 O\n0.765269 0.167558 0.368377 O\n0.322056 0.276722 0.816912 O\n0.143045 0.051682 0.498018 O\n0.741240 0.099734 0.619682 O\n0.990049 0.856340 0.169903 O\n0.835420 0.884202 0.717332 O\n",
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"formula_full": "Ag2 Mo8 H44 C16 N6 O30",
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"energy": -675.98010492,
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"updated_at": "2021-11-28T01:35:09.164000Z",
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}
]
}