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{
"id": "mp-556437",
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"structure_string": "Gd40 S56 O4\n1.0\n-7.384708 7.384708 9.804177\n7.384708 -7.384708 9.804177\n7.384708 7.384708 -9.804177\nGd S O\n40 56 4\ndirect\n0.064507 0.926255 0.125464 Gd\n0.689044 0.314507 0.638252 Gd\n0.549373 0.699416 0.405099 Gd\n0.885172 0.614828 0.000000 Gd\n0.073745 0.199208 0.138252 Gd\n0.560956 0.699208 0.125464 Gd\n0.894274 0.799373 0.349957 Gd\n0.564507 0.439044 0.138252 Gd\n0.176255 0.814507 0.625464 Gd\n0.294317 0.144274 0.594901 Gd\n0.685493 0.323745 0.374536 Gd\n0.800792 0.939044 0.874536 Gd\n0.449208 0.823745 0.638252 Gd\n0.455683 0.105726 0.905099 Gd\n0.049373 0.644274 0.849957 Gd\n0.200627 0.550584 0.094901 Gd\n0.635172 0.135172 0.770344 Gd\n0.794317 0.199416 0.150043 Gd\n0.364828 0.864828 0.229656 Gd\n0.385172 0.385172 0.270344 Gd\n0.355726 0.205683 0.405099 Gd\n0.800584 0.950627 0.594901 Gd\n0.394274 0.044317 0.094901 Gd\n0.189044 0.550792 0.374536 Gd\n0.676255 0.050792 0.361748 Gd\n0.949416 0.299373 0.905099 Gd\n0.864828 0.635172 0.500000 Gd\n0.573745 0.435493 0.874536 Gd\n0.300792 0.426255 0.861748 Gd\n0.449416 0.544317 0.650043 Gd\n0.949208 0.310956 0.625464 Gd\n0.114828 0.114828 0.729656 Gd\n0.060956 0.935493 0.861748 Gd\n0.955683 0.050584 0.349957 Gd\n0.135172 0.364828 0.500000 Gd\n0.855726 0.450627 0.150043 Gd\n0.185493 0.810956 0.361748 Gd\n0.300584 0.705683 0.849957 Gd\n0.700627 0.605726 0.650043 Gd\n0.614828 0.885172 0.000000 Gd\n0.125000 0.226167 0.601167 S\n0.632659 0.915087 0.641153 S\n0.761130 0.604062 0.107335 S\n0.753273 0.145938 0.657068 S\n0.708915 0.687735 0.332957 S\n0.403795 0.011130 0.657068 S\n0.476066 0.258494 0.141153 S\n0.488870 0.096205 0.342932 S\n0.812265 0.791085 0.667043 S\n0.903795 0.246727 0.392665 S\n0.312265 0.645222 0.021180 S\n0.541085 0.374042 0.478820 S\n0.008494 0.367341 0.282428 S\n0.132659 0.491506 0.717572 S\n0.253273 0.596205 0.607335 S\n0.854778 0.187735 0.978820 S\n0.165087 0.382659 0.141153 S\n0.665087 0.523934 0.782428 S\n0.773833 0.375000 0.898833 S\n0.996727 0.104062 0.842932 S\n0.625000 0.023833 0.898833 S\n0.854062 0.511130 0.607335 S\n0.125958 0.958915 0.521180 S\n0.346205 0.238870 0.842932 S\n0.395938 0.503273 0.157068 S\n0.273833 0.375000 0.398833 S\n0.208915 0.875958 0.021180 S\n0.508494 0.226066 0.641153 S\n0.741506 0.882659 0.217572 S\n0.125000 0.726167 0.101167 S\n0.124042 0.145222 0.332957 S\n0.625000 0.523833 0.398833 S\n0.261130 0.153795 0.157068 S\n0.476167 0.875000 0.101167 S\n0.437735 0.604778 0.478820 S\n0.846205 0.003273 0.107335 S\n0.241506 0.023934 0.858847 S\n0.273934 0.991506 0.358847 S\n0.895222 0.062265 0.521180 S\n0.895938 0.738870 0.892665 S\n0.988870 0.645938 0.392665 S\n0.041085 0.562265 0.167043 S\n0.937735 0.458915 0.832957 S\n0.354062 0.746727 0.342932 S\n0.976066 0.834913 0.217572 S\n0.773934 0.415087 0.282428 S\n0.624042 0.291085 0.978820 S\n0.617341 0.758494 0.782428 S\n0.084913 0.726066 0.717572 S\n0.976167 0.875000 0.601167 S\n0.625958 0.104778 0.167043 S\n0.395222 0.874042 0.832957 S\n0.584913 0.867341 0.358847 S\n0.117341 0.334913 0.858847 S\n0.354778 0.375958 0.667043 S\n0.496727 0.653795 0.892665 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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"formula_full": "Gd40 S56 O4",
"formula_reduced": "Gd10S14O",
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{
"id": "mp-23498",
"created_at": "2022-09-04T14:48:27.578690Z",
"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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"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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{
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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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