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{
"id": "oqmd-1101058",
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"structure_string": "Dy16 Si16 H16 O64\n1.0\n7.665828 0.000000 0.000000\n0.000000 8.950022 0.000000\n0.000000 0.000000 17.287396\nDy H O Si\n16 16 64 16\ndirect\n0.637404 0.188253 0.118594 Dy\n0.862596 0.688253 0.118594 Dy\n0.111886 0.335283 0.124764 Dy\n0.388113 0.835283 0.124764 Dy\n0.611887 0.335283 0.375237 Dy\n0.888113 0.835283 0.375237 Dy\n0.137405 0.188253 0.381406 Dy\n0.362595 0.688253 0.381406 Dy\n0.637404 0.311747 0.618595 Dy\n0.862596 0.811747 0.618595 Dy\n0.111886 0.164717 0.624763 Dy\n0.388113 0.664717 0.624763 Dy\n0.611887 0.164717 0.875236 Dy\n0.888113 0.664717 0.875236 Dy\n0.137405 0.311747 0.881406 Dy\n0.362595 0.811747 0.881406 Dy\n0.938591 0.135206 0.009690 H\n0.561408 0.635206 0.009690 H\n0.792284 0.406973 0.217877 H\n0.707715 0.906973 0.217877 H\n0.292284 0.406973 0.282123 H\n0.207715 0.906973 0.282123 H\n0.438592 0.135206 0.490310 H\n0.061408 0.635206 0.490310 H\n0.938591 0.364795 0.509690 H\n0.561408 0.864795 0.509690 H\n0.792284 0.093027 0.717877 H\n0.707715 0.593026 0.717877 H\n0.292284 0.093027 0.782123 H\n0.207715 0.593026 0.782123 H\n0.438592 0.364795 0.990311 H\n0.061408 0.864795 0.990311 H\n0.776249 0.107495 0.003192 O\n0.723752 0.607495 0.003192 O\n0.077924 0.171388 0.015665 O\n0.422076 0.671388 0.015665 O\n0.835679 0.379028 0.078690 O\n0.664321 0.879028 0.078690 O\n0.377779 0.088208 0.081249 O\n0.122223 0.588209 0.081249 O\n0.401054 0.375005 0.147315 O\n0.098946 0.875005 0.147315 O\n0.921836 0.137973 0.166870 O\n0.578163 0.637973 0.166870 O\n0.564719 0.007117 0.209083 O\n0.935281 0.507117 0.209083 O\n0.671839 0.354205 0.226847 O\n0.828161 0.854205 0.226847 O\n0.171838 0.354205 0.273152 O\n0.328162 0.854205 0.273152 O\n0.064718 0.007117 0.290918 O\n0.435281 0.507117 0.290918 O\n0.421836 0.137973 0.333131 O\n0.078164 0.637973 0.333131 O\n0.901055 0.375005 0.352685 O\n0.598946 0.875005 0.352685 O\n0.877779 0.088208 0.418750 O\n0.622222 0.588209 0.418750 O\n0.335679 0.379028 0.421310 O\n0.164321 0.879028 0.421310 O\n0.577923 0.171388 0.484335 O\n0.922077 0.671388 0.484335 O\n0.276248 0.107495 0.496809 O\n0.223753 0.607495 0.496809 O\n0.776249 0.392506 0.503191 O\n0.723752 0.892506 0.503191 O\n0.077924 0.328611 0.515665 O\n0.422076 0.828611 0.515665 O\n0.835679 0.120972 0.578690 O\n0.664321 0.620972 0.578690 O\n0.377779 0.411792 0.581250 O\n0.122223 0.911792 0.581250 O\n0.401054 0.124995 0.647315 O\n0.098946 0.624995 0.647315 O\n0.921836 0.362027 0.666869 O\n0.578163 0.862027 0.666869 O\n0.564719 0.492883 0.709082 O\n0.935281 0.992883 0.709082 O\n0.671839 0.145795 0.726847 O\n0.828161 0.645795 0.726847 O\n0.171838 0.145795 0.773153 O\n0.328162 0.645795 0.773153 O\n0.064718 0.492883 0.790917 O\n0.435281 0.992883 0.790917 O\n0.421836 0.362027 0.833131 O\n0.078164 0.862027 0.833131 O\n0.901055 0.124995 0.852685 O\n0.598946 0.624995 0.852685 O\n0.877779 0.411792 0.918750 O\n0.622222 0.911792 0.918750 O\n0.335679 0.120972 0.921310 O\n0.164321 0.620972 0.921310 O\n0.577923 0.328611 0.984335 O\n0.922077 0.828611 0.984335 O\n0.276248 0.392506 0.996808 O\n0.223753 0.892506 0.996808 O\n0.257064 0.071866 0.004561 Si\n0.242937 0.571866 0.004561 Si\n0.514646 0.481455 0.203933 Si\n0.985352 0.981455 0.203933 Si\n0.014647 0.481455 0.296067 Si\n0.485353 0.981455 0.296067 Si\n0.757064 0.071866 0.495439 Si\n0.742936 0.571866 0.495439 Si\n0.257064 0.428134 0.504561 Si\n0.242937 0.928134 0.504561 Si\n0.514646 0.018545 0.703934 Si\n0.985352 0.518545 0.703934 Si\n0.014647 0.018545 0.796067 Si\n0.485353 0.518545 0.796067 Si\n0.757064 0.428134 0.995439 Si\n0.742936 0.928134 0.995439 Si\n",
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"elements": [
"Dy",
"H",
"O",
"Si"
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"density": 5.725348818047625,
"density_atomic": 0.09442897351178002,
"volume": 1186.0766440082925,
"volume_molar": 6.377429019969954,
"formula_full": "Dy16 Si16 H16 O64",
"formula_reduced": "DySiHO4",
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{
"id": "oqmd-3355",
"created_at": "2022-09-04T14:55:24.372788Z",
"updated_at": "2022-09-04T14:55:24.372810Z",
"structure_string": "Mg16 H64 N32\n1.0\n9.966377 0.000000 0.000000\n0.000000 9.966377 0.000000\n-4.983189 -4.983189 9.919175\nH Mg N\n64 16 32\ndirect\n0.080617 0.216915 0.053609 H\n0.972993 0.336695 0.053609 H\n0.472993 0.716915 0.053609 H\n0.580617 0.836695 0.053609 H\n0.337300 0.072329 0.054582 H\n0.717282 0.482254 0.054582 H\n0.217282 0.572329 0.054582 H\n0.837301 0.982254 0.054582 H\n0.302674 0.271882 0.192365 H\n0.889691 0.420483 0.192365 H\n0.389691 0.771882 0.192365 H\n0.802674 0.920483 0.192365 H\n0.555762 0.039785 0.196212 H\n0.055762 0.156427 0.196212 H\n0.140450 0.539785 0.196212 H\n0.640450 0.656426 0.196212 H\n0.960215 0.359550 0.303788 H\n0.343574 0.444238 0.303788 H\n0.843574 0.859551 0.303788 H\n0.460215 0.944238 0.303788 H\n0.728118 0.110309 0.307634 H\n0.228118 0.197326 0.307634 H\n0.079516 0.610309 0.307634 H\n0.579517 0.697326 0.307634 H\n0.427672 0.162700 0.445417 H\n0.927671 0.282717 0.445417 H\n0.517746 0.662700 0.445417 H\n0.017745 0.782717 0.445417 H\n0.783086 0.027008 0.446392 H\n0.283085 0.419384 0.446392 H\n0.163307 0.527008 0.446392 H\n0.663306 0.919384 0.446392 H\n0.336694 0.080617 0.553609 H\n0.836694 0.472992 0.553609 H\n0.716914 0.580616 0.553609 H\n0.216915 0.972992 0.553609 H\n0.982255 0.217282 0.554582 H\n0.482254 0.337300 0.554582 H\n0.072328 0.717283 0.554582 H\n0.572328 0.837300 0.554582 H\n0.420483 0.302674 0.692365 H\n0.920484 0.389691 0.692365 H\n0.771882 0.802674 0.692365 H\n0.271882 0.889691 0.692365 H\n0.539785 0.055762 0.696211 H\n0.156426 0.140449 0.696211 H\n0.656426 0.555762 0.696211 H\n0.039785 0.640450 0.696211 H\n0.359550 0.343573 0.803789 H\n0.859550 0.460215 0.803789 H\n0.944239 0.843573 0.803789 H\n0.444239 0.960215 0.803789 H\n0.197326 0.079517 0.807635 H\n0.610309 0.228118 0.807635 H\n0.110309 0.579517 0.807635 H\n0.697326 0.728118 0.807635 H\n0.162699 0.017746 0.945417 H\n0.782718 0.427671 0.945417 H\n0.282718 0.517746 0.945417 H\n0.662700 0.927671 0.945417 H\n0.419384 0.163306 0.946391 H\n0.527008 0.283085 0.946391 H\n0.027007 0.663306 0.946391 H\n0.919384 0.783086 0.946391 H\n0.691041 0.195347 0.125446 Mg\n0.434406 0.430098 0.125446 Mg\n0.934406 0.695347 0.125446 Mg\n0.191040 0.930098 0.125446 Mg\n0.069902 0.065595 0.374554 Mg\n0.569902 0.308959 0.374554 Mg\n0.804653 0.565595 0.374554 Mg\n0.304653 0.808959 0.374554 Mg\n0.695348 0.191041 0.625446 Mg\n0.195347 0.434405 0.625446 Mg\n0.430099 0.691041 0.625446 Mg\n0.930099 0.934405 0.625446 Mg\n0.808960 0.069902 0.874554 Mg\n0.065594 0.304653 0.874554 Mg\n0.565594 0.569901 0.874554 Mg\n0.308959 0.804652 0.874554 Mg\n0.750000 0.018564 0.000000 N\n0.250000 0.481436 0.000000 N\n0.750000 0.518565 0.000000 N\n0.250000 0.981436 0.000000 N\n0.505498 0.255497 0.010995 N\n0.005497 0.755497 0.010995 N\n0.134851 0.112116 0.249866 N\n0.634851 0.137750 0.249866 N\n0.615015 0.612116 0.249866 N\n0.115014 0.637750 0.249866 N\n0.387885 0.365149 0.250135 N\n0.862250 0.384986 0.250135 N\n0.362250 0.865149 0.250135 N\n0.887885 0.884985 0.250135 N\n0.744502 0.494502 0.489004 N\n0.244502 0.994502 0.489004 N\n0.018563 0.250000 0.499999 N\n0.518564 0.250000 0.499999 N\n0.481436 0.750000 0.499999 N\n0.981436 0.750000 0.499999 N\n0.755498 0.005498 0.510995 N\n0.255498 0.505497 0.510995 N\n0.112115 0.115014 0.749866 N\n0.637751 0.134852 0.749866 N\n0.137750 0.615014 0.749866 N\n0.612115 0.634852 0.749866 N\n0.884986 0.362250 0.750134 N\n0.384985 0.387884 0.750134 N\n0.365149 0.862250 0.750134 N\n0.865149 0.887884 0.750134 N\n0.994503 0.244503 0.989005 N\n0.494502 0.744502 0.989005 N\n",
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{
"id": "oqmd-39835",
"created_at": "2022-09-04T15:32:00.676600Z",
"updated_at": "2022-09-04T15:32:00.676627Z",
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{
"id": "oqmd-1101040",
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