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{
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"structure_string": "Ca10 Si12 W10 O34\n1.0\n5.759850 3.741334 -0.693770\n5.759850 -3.741334 -0.693770\n-0.218603 0.000000 -23.668682\nCa Si W O\n10 12 10 34\ndirect\n0.394207 0.644384 0.878767 Ca\n0.644384 0.394207 0.378767 Ca\n0.158734 0.899597 0.391613 Ca\n0.899597 0.158734 0.891613 Ca\n0.929746 0.804466 0.538618 Ca\n0.804466 0.929746 0.038618 Ca\n0.408234 0.155570 0.795032 Ca\n0.155570 0.408234 0.295032 Ca\n0.914882 0.667390 0.812484 Ca\n0.667390 0.914882 0.312484 Ca\n0.884735 0.209857 0.756364 Si\n0.209857 0.884735 0.256364 Si\n0.460261 0.629664 0.752225 Si\n0.629664 0.460261 0.252225 Si\n0.291339 0.030498 0.523125 Si\n0.030498 0.291339 0.023125 Si\n0.418500 0.109792 0.933986 Si\n0.109792 0.418500 0.433986 Si\n0.836234 0.676577 0.937870 Si\n0.676577 0.836234 0.437870 Si\n0.265696 0.008701 0.665877 Si\n0.008701 0.265696 0.165877 Si\n0.681026 0.094944 0.641220 W\n0.094944 0.681026 0.141220 W\n0.797680 0.473902 0.607453 W\n0.473902 0.797680 0.107453 W\n0.486843 0.341146 0.094077 W\n0.341146 0.486843 0.594077 W\n0.277213 0.699132 0.012730 W\n0.699132 0.277213 0.512730 W\n0.991230 0.662026 0.679556 W\n0.662026 0.991230 0.179556 W\n0.553205 0.292547 0.291199 O\n0.292547 0.553205 0.791199 O\n0.272404 0.019645 0.594696 O\n0.019645 0.272404 0.094696 O\n0.551844 0.918218 0.501262 O\n0.918218 0.551844 0.001262 O\n0.634664 0.900201 0.958962 O\n0.900201 0.634664 0.458962 O\n0.765433 0.545139 0.897199 O\n0.545139 0.765433 0.397199 O\n0.508976 0.270953 0.898544 O\n0.270953 0.508976 0.398544 O\n0.020202 0.121054 0.694269 O\n0.121054 0.020202 0.194269 O\n0.012214 0.752389 0.903701 O\n0.752389 0.012214 0.403701 O\n0.170115 0.911983 0.494252 O\n0.911983 0.170115 0.994252 O\n0.533733 0.769110 0.790764 O\n0.769110 0.533733 0.290764 O\n0.351048 0.756928 0.691725 O\n0.756928 0.351048 0.191725 O\n0.807249 0.040872 0.792925 O\n0.040872 0.807249 0.292926 O\n0.287552 0.016296 0.296262 O\n0.016296 0.287552 0.796262 O\n0.667892 0.413407 0.732870 O\n0.413407 0.667892 0.232870 O\n0.277650 0.207538 0.994402 O\n0.207538 0.277650 0.494402 O\n0.292259 0.028733 0.893335 O\n0.028733 0.292259 0.393335 O\n0.403405 0.116137 0.692835 O\n0.116137 0.403405 0.192835 O\n",
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},
{
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"structure_string": "La2 Ag2 Pb2\n1.0\n2.477916 -4.291876 0.000000\n2.477916 4.291876 0.000000\n0.000000 0.000000 7.920334\nLa Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.012003 La\n0.000000 0.000000 0.512003 La\n0.666667 0.333333 0.315823 Ag\n0.333333 0.666667 0.815823 Ag\n0.333333 0.666667 0.229175 Pb\n0.666667 0.333333 0.729175 Pb\n",
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},
{
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"structure_string": "Li8 Fe2 B4 O12\n1.0\n9.349660 -0.004581 0.022191\n-0.004275 7.955961 -0.060013\n0.008067 -0.025911 3.328840\nLi Fe B O\n8 2 4 12\ndirect\n0.057155 0.170176 0.500724 Li\n0.203228 0.002255 0.994340 Li\n0.296669 0.502542 0.497845 Li\n0.443010 0.670627 0.002147 Li\n0.557281 0.329667 0.997438 Li\n0.703983 0.497700 0.501987 Li\n0.796239 0.997879 0.005225 Li\n0.942635 0.829778 0.499197 Li\n0.000320 0.499604 0.000489 Fe\n0.499701 0.999678 0.499775 Fe\n0.199242 0.763782 0.493079 B\n0.300415 0.264181 0.989008 B\n0.699429 0.735895 0.010818 B\n0.800819 0.236119 0.507249 B\n0.112133 0.616395 0.484047 O\n0.152712 0.246768 0.002013 O\n0.135303 0.918150 0.491027 O\n0.364693 0.418489 0.993155 O\n0.346961 0.746891 0.507439 O\n0.387420 0.117025 0.975332 O\n0.612006 0.882884 0.024175 O\n0.653208 0.253462 0.492224 O\n0.635381 0.581440 0.006681 O\n0.864638 0.081657 0.508528 O\n0.847105 0.753639 0.998239 O\n0.888315 0.383317 0.517819 O\n",
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{
"id": "mp-1029492",
"created_at": "2022-09-04T14:48:27.575060Z",
"structure_string": "Li24 Co8 N16\n1.0\n-4.717788 4.717788 4.717788\n4.717788 -4.717788 4.717788\n4.717788 4.717788 -4.717788\nLi Co N\n24 8 16\ndirect\n0.514923 0.479691 0.257622 Li\n0.777930 0.020309 0.535232 Li\n0.722070 0.257301 0.242378 Li\n0.985077 0.242699 0.964768 Li\n0.535232 0.777930 0.020309 Li\n0.257622 0.514923 0.479691 Li\n0.964768 0.985077 0.242699 Li\n0.242378 0.722070 0.257301 Li\n0.257301 0.242378 0.722070 Li\n0.242699 0.964768 0.985077 Li\n0.479691 0.257622 0.514923 Li\n0.020309 0.535232 0.777930 Li\n0.485077 0.520309 0.742378 Li\n0.222070 0.979691 0.464768 Li\n0.277930 0.742699 0.757622 Li\n0.014923 0.757301 0.035232 Li\n0.464768 0.222070 0.979691 Li\n0.742378 0.485077 0.520309 Li\n0.035232 0.014923 0.757301 Li\n0.757622 0.277930 0.742699 Li\n0.742699 0.757622 0.277930 Li\n0.757301 0.035232 0.014923 Li\n0.520309 0.742378 0.485077 Li\n0.979691 0.464768 0.222070 Li\n0.225942 0.225942 0.225942 Co\n0.000000 0.274058 0.500000 Co\n0.500000 0.000000 0.274058 Co\n0.274058 0.500000 0.000000 Co\n0.774058 0.774058 0.774058 Co\n0.000000 0.725942 0.500000 Co\n0.500000 0.000000 0.725942 Co\n0.725942 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.216692 0.250000 0.466692 N\n0.283308 0.750000 0.033308 N\n0.466692 0.216692 0.250000 N\n0.033308 0.283308 0.750000 N\n0.750000 0.033308 0.283308 N\n0.250000 0.466692 0.216692 N\n0.783308 0.750000 0.533308 N\n0.716692 0.250000 0.966692 N\n0.533308 0.783308 0.750000 N\n0.966692 0.716692 0.250000 N\n0.250000 0.966692 0.716692 N\n0.750000 0.533308 0.783308 N\n",
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{
"id": "mp-558377",
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"structure_string": "B8 H48 C12 N24 O24\n1.0\n20.015245 0.000000 0.000000\n0.000000 3.821694 0.000000\n0.000000 0.086522 14.117702\nB H C N O\n8 48 12 24 24\ndirect\n0.632331 0.446391 0.167441 B\n0.989869 0.341130 0.137999 B\n0.132331 0.553609 0.332559 B\n0.010131 0.658870 0.862001 B\n0.867669 0.446391 0.667441 B\n0.510131 0.341130 0.637999 B\n0.367669 0.553609 0.832559 B\n0.489869 0.658870 0.362001 B\n0.079885 0.570934 0.155991 H\n0.794735 0.739008 0.017652 H\n0.475125 0.205397 0.104082 H\n0.940839 0.137409 0.254269 H\n0.920115 0.429066 0.844009 H\n0.657584 0.862796 0.419681 H\n0.353578 0.814686 0.363210 H\n0.975125 0.794603 0.395918 H\n0.579885 0.429066 0.344009 H\n0.066833 0.300092 0.497152 H\n0.420115 0.570934 0.655991 H\n0.459750 0.352484 0.814085 H\n0.059161 0.862591 0.745731 H\n0.681031 0.209693 0.276285 H\n0.818969 0.209693 0.776285 H\n0.705265 0.739008 0.517652 H\n0.566833 0.699908 0.002848 H\n0.944773 0.346684 0.010272 H\n0.146422 0.814686 0.863210 H\n0.040250 0.352484 0.314085 H\n0.318361 0.451988 0.954972 H\n0.205265 0.260992 0.982348 H\n0.181639 0.451988 0.454972 H\n0.555227 0.346684 0.510272 H\n0.559161 0.137409 0.754269 H\n0.444773 0.653316 0.489728 H\n0.318969 0.790307 0.723715 H\n0.055227 0.653316 0.989728 H\n0.234923 0.771702 0.854303 H\n0.433167 0.300092 0.997152 H\n0.524875 0.794603 0.895918 H\n0.265077 0.771702 0.354303 H\n0.024875 0.205397 0.604082 H\n0.294735 0.260992 0.482348 H\n0.818361 0.548012 0.545028 H\n0.440839 0.862591 0.245731 H\n0.959750 0.647516 0.685915 H\n0.765077 0.228298 0.145697 H\n0.842416 0.862796 0.919681 H\n0.540250 0.647516 0.185915 H\n0.681639 0.548012 0.045028 H\n0.734923 0.228298 0.645697 H\n0.853578 0.185314 0.136790 H\n0.646422 0.185314 0.636790 H\n0.933167 0.699908 0.502848 H\n0.157584 0.137204 0.080319 H\n0.342416 0.137204 0.580319 H\n0.181031 0.790307 0.223715 H\n0.187532 0.965149 0.736798 C\n0.812468 0.034851 0.263202 C\n0.759471 0.870564 0.399506 C\n0.126825 0.160740 0.609340 C\n0.259471 0.129436 0.100494 C\n0.312468 0.965149 0.236798 C\n0.626825 0.839260 0.890660 C\n0.740529 0.870564 0.899506 C\n0.873175 0.839260 0.390660 C\n0.687532 0.034851 0.763202 C\n0.373175 0.160740 0.109340 C\n0.240529 0.129436 0.600494 C\n0.817139 0.772192 0.441214 N\n0.568077 0.772899 0.932854 N\n0.309875 0.859762 0.327315 N\n0.068077 0.227101 0.567146 N\n0.754059 0.005436 0.311403 N\n0.182861 0.227808 0.558786 N\n0.126697 0.033725 0.698832 N\n0.809875 0.140238 0.172685 N\n0.797122 0.831985 0.950464 N\n0.245941 0.994564 0.688597 N\n0.297122 0.168015 0.549536 N\n0.931923 0.772899 0.432854 N\n0.682861 0.772192 0.941214 N\n0.690125 0.140238 0.672685 N\n0.702878 0.831985 0.450464 N\n0.190125 0.859762 0.827315 N\n0.431923 0.227101 0.067146 N\n0.373303 0.033725 0.198832 N\n0.254059 0.994564 0.188597 N\n0.745941 0.005436 0.811403 N\n0.202878 0.168015 0.049536 N\n0.317139 0.227808 0.058786 N\n0.873303 0.966275 0.301168 N\n0.626697 0.966275 0.801168 N\n0.813781 0.418933 0.607966 O\n0.073612 0.405379 0.365042 O\n0.515434 0.254631 0.732268 O\n0.438317 0.733348 0.423102 O\n0.926388 0.594621 0.634958 O\n0.484566 0.745369 0.267732 O\n0.061683 0.733348 0.923102 O\n0.952481 0.497029 0.894993 O\n0.863460 0.323459 0.759797 O\n0.573612 0.594621 0.134958 O\n0.313781 0.581067 0.892034 O\n0.047519 0.502971 0.105007 O\n0.636540 0.323459 0.259797 O\n0.686219 0.418933 0.107966 O\n0.136540 0.676541 0.240203 O\n0.426388 0.405379 0.865042 O\n0.547519 0.497029 0.394993 O\n0.363460 0.676541 0.740203 O\n0.938317 0.266652 0.076898 O\n0.984566 0.254631 0.232268 O\n0.561683 0.266652 0.576898 O\n0.015434 0.745369 0.767732 O\n0.452481 0.502971 0.605007 O\n0.186219 0.581067 0.392034 O\n",
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"formula_full": "B8 H48 C12 N24 O24",
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{
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"structure_string": "Nb4 Se4 Br12\n1.0\n7.502856 0.000000 0.000000\n0.000000 7.148426 0.000000\n0.000000 1.819754 12.680994\nNb Se Br\n4 4 12\ndirect\n0.627830 0.068570 0.849960 Nb\n0.627830 0.931430 0.650040 Nb\n0.372170 0.931430 0.150040 Nb\n0.372170 0.068570 0.349960 Nb\n0.119701 0.151008 0.202098 Se\n0.880299 0.151008 0.702098 Se\n0.880299 0.848992 0.797902 Se\n0.119701 0.848992 0.297902 Se\n0.767648 0.347693 0.921589 Br\n0.767648 0.652307 0.578411 Br\n0.232352 0.652307 0.078411 Br\n0.232352 0.347693 0.421589 Br\n0.434038 0.235244 0.696342 Br\n0.434038 0.764756 0.803658 Br\n0.565962 0.764756 0.303658 Br\n0.565962 0.235244 0.196342 Br\n0.324844 0.143736 0.961588 Br\n0.675156 0.143736 0.461588 Br\n0.675156 0.856264 0.038412 Br\n0.324844 0.856264 0.538412 Br\n",
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{
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