{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=15","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=13","results":[{"id":"oqmd-1101043","created_at":"2022-09-04T15:34:27.752665Z","updated_at":"2022-09-04T15:34:27.752694Z","structure_string":"Er16 Si16 H16 O64\n1.0\n7.620173 0.000000 0.000000\n0.000000 8.917540 0.000000\n0.000000 0.000000 17.243301\nEr H O Si\n16 16 64 16\ndirect\n0.639013 0.187183 0.119032 Er\n0.860988 0.687182 0.119032 Er\n0.107252 0.337311 0.124523 Er\n0.392748 0.837311 0.124523 Er\n0.607251 0.337311 0.375477 Er\n0.892747 0.837311 0.375477 Er\n0.139013 0.187183 0.380969 Er\n0.360987 0.687182 0.380969 Er\n0.639013 0.312818 0.619032 Er\n0.860988 0.812817 0.619032 Er\n0.107252 0.162688 0.624523 Er\n0.392748 0.662690 0.624523 Er\n0.607251 0.162688 0.875477 Er\n0.892747 0.662690 0.875477 Er\n0.139013 0.312818 0.880969 Er\n0.360987 0.812817 0.880969 Er\n0.938267 0.135017 0.011473 H\n0.561733 0.635018 0.011473 H\n0.789633 0.404826 0.217366 H\n0.710367 0.904827 0.217366 H\n0.289633 0.404826 0.282633 H\n0.210367 0.904827 0.282633 H\n0.438267 0.135017 0.488527 H\n0.061732 0.635018 0.488527 H\n0.938267 0.364982 0.511473 H\n0.561733 0.864983 0.511473 H\n0.789633 0.095173 0.717366 H\n0.710367 0.595173 0.717366 H\n0.289633 0.095173 0.782633 H\n0.210367 0.595173 0.782633 H\n0.438267 0.364982 0.988527 H\n0.061732 0.864983 0.988527 H\n0.775585 0.107221 0.004500 O\n0.724415 0.607222 0.004500 O\n0.078521 0.171350 0.018658 O\n0.421480 0.671349 0.018658 O\n0.832064 0.375835 0.079397 O\n0.667936 0.875836 0.079397 O\n0.385231 0.085827 0.079791 O\n0.114769 0.585829 0.079791 O\n0.394824 0.375622 0.147347 O\n0.105175 0.875623 0.147347 O\n0.922244 0.138246 0.167102 O\n0.577755 0.638246 0.167102 O\n0.565156 0.007156 0.208497 O\n0.934845 0.507154 0.208497 O\n0.668890 0.352070 0.225728 O\n0.831108 0.852071 0.225728 O\n0.168891 0.352070 0.274271 O\n0.331109 0.852071 0.274271 O\n0.065156 0.007156 0.291503 O\n0.434844 0.507154 0.291503 O\n0.422245 0.138246 0.332898 O\n0.077755 0.638246 0.332898 O\n0.894825 0.375622 0.352653 O\n0.605175 0.875623 0.352653 O\n0.885232 0.085827 0.420209 O\n0.614769 0.585829 0.420209 O\n0.332063 0.375835 0.420602 O\n0.167936 0.875836 0.420602 O\n0.578521 0.171350 0.481342 O\n0.921480 0.671349 0.481342 O\n0.275586 0.107221 0.495501 O\n0.224415 0.607222 0.495501 O\n0.775585 0.392778 0.504500 O\n0.724415 0.892779 0.504500 O\n0.078521 0.328651 0.518658 O\n0.421480 0.828650 0.518658 O\n0.832064 0.124165 0.579397 O\n0.667936 0.624164 0.579397 O\n0.385231 0.414171 0.579792 O\n0.114769 0.914173 0.579792 O\n0.394824 0.124377 0.647347 O\n0.105175 0.624377 0.647347 O\n0.922244 0.361756 0.667102 O\n0.577755 0.861755 0.667102 O\n0.565156 0.492846 0.708497 O\n0.934845 0.992844 0.708497 O\n0.668890 0.147929 0.725728 O\n0.831108 0.647929 0.725728 O\n0.168891 0.147929 0.774272 O\n0.331109 0.647929 0.774272 O\n0.065156 0.492846 0.791503 O\n0.434844 0.992844 0.791503 O\n0.422245 0.361756 0.832897 O\n0.077755 0.861755 0.832897 O\n0.894825 0.124377 0.852653 O\n0.605175 0.624377 0.852653 O\n0.885232 0.414171 0.920209 O\n0.614769 0.914173 0.920209 O\n0.332063 0.124165 0.920602 O\n0.167936 0.624164 0.920602 O\n0.578521 0.328651 0.981342 O\n0.921480 0.828650 0.981342 O\n0.275586 0.392778 0.995501 O\n0.224415 0.892779 0.995501 O\n0.258093 0.072477 0.004627 Si\n0.241907 0.572479 0.004627 Si\n0.511637 0.481162 0.203697 Si\n0.988363 0.981162 0.203697 Si\n0.011636 0.481162 0.296303 Si\n0.488363 0.981162 0.296303 Si\n0.758093 0.072477 0.495374 Si\n0.741907 0.572479 0.495374 Si\n0.258093 0.427522 0.504626 Si\n0.241907 0.927522 0.504626 Si\n0.511637 0.018839 0.703697 Si\n0.988363 0.518838 0.703697 Si\n0.011636 0.018839 0.796303 Si\n0.488363 0.518838 0.796303 Si\n0.758093 0.427522 0.995374 Si\n0.741907 0.927522 0.995374 Si\n","nsites":112,"nelements":4,"elements":["Er","H","O","Si"],"chemical_system":"Er-H-O-Si","density":5.903321314445974,"density_atomic":0.09558455356323815,"volume":1171.737438998462,"volume_molar":6.300328385188083,"formula_full":"Er16 Si16 H16 O64","formula_reduced":"ErSiHO4","formula_anonymous":"ABCD4","formation_energy":-2.94372140518917,"spacegroup":61},{"id":"oqmd-1101064","created_at":"2022-09-04T15:34:27.948236Z","updated_at":"2022-09-04T15:34:27.948260Z","structure_string":"Tb16 Si16 H16 O64\n1.0\n7.691488 0.000000 0.000000\n0.000000 8.961951 0.000000\n0.000000 0.000000 17.320264\nH O Si Tb\n16 64 16 16\ndirect\n0.938790 0.135678 0.008248 H\n0.561210 0.635677 0.008248 H\n0.793868 0.408218 0.218245 H\n0.706131 0.908219 0.218245 H\n0.293869 0.408218 0.281755 H\n0.206132 0.908219 0.281755 H\n0.438790 0.135678 0.491752 H\n0.061209 0.635677 0.491752 H\n0.938790 0.364322 0.508248 H\n0.561210 0.864322 0.508248 H\n0.793868 0.091781 0.718245 H\n0.706131 0.591782 0.718245 H\n0.293869 0.091781 0.781755 H\n0.206132 0.591782 0.781755 H\n0.438790 0.364322 0.991752 H\n0.061209 0.864322 0.991752 H\n0.775341 0.107954 0.002181 O\n0.724658 0.607955 0.002181 O\n0.076933 0.170880 0.013811 O\n0.423066 0.670880 0.013811 O\n0.838256 0.380882 0.077854 O\n0.661743 0.880883 0.077854 O\n0.371845 0.090483 0.082681 O\n0.128155 0.590483 0.082681 O\n0.403952 0.375183 0.147629 O\n0.096049 0.875183 0.147629 O\n0.921276 0.138109 0.166762 O\n0.578725 0.638109 0.166762 O\n0.563396 0.007353 0.209216 O\n0.936604 0.507354 0.209216 O\n0.673773 0.355382 0.227036 O\n0.826226 0.855383 0.227036 O\n0.173774 0.355382 0.272964 O\n0.326226 0.855383 0.272964 O\n0.063396 0.007353 0.290785 O\n0.436605 0.507354 0.290785 O\n0.421276 0.138109 0.333237 O\n0.078725 0.638109 0.333237 O\n0.903951 0.375183 0.352372 O\n0.596048 0.875183 0.352372 O\n0.871844 0.090483 0.417319 O\n0.628155 0.590483 0.417319 O\n0.338257 0.380882 0.422147 O\n0.161742 0.880883 0.422147 O\n0.576933 0.170880 0.486189 O\n0.923067 0.670880 0.486189 O\n0.275341 0.107954 0.497820 O\n0.224659 0.607955 0.497820 O\n0.775341 0.392045 0.502181 O\n0.724658 0.892046 0.502181 O\n0.076933 0.329120 0.513811 O\n0.423066 0.829120 0.513811 O\n0.838256 0.119117 0.577854 O\n0.661743 0.619117 0.577854 O\n0.371845 0.409517 0.582681 O\n0.128155 0.909517 0.582681 O\n0.403952 0.124817 0.647629 O\n0.096049 0.624817 0.647629 O\n0.921276 0.361891 0.666762 O\n0.578725 0.861890 0.666762 O\n0.563396 0.492646 0.709216 O\n0.936604 0.992647 0.709216 O\n0.673773 0.144617 0.727036 O\n0.826226 0.644617 0.727036 O\n0.173774 0.144617 0.772963 O\n0.326226 0.644617 0.772963 O\n0.063396 0.492646 0.790784 O\n0.436605 0.992647 0.790784 O\n0.421276 0.361891 0.833238 O\n0.078725 0.861890 0.833238 O\n0.903951 0.124817 0.852372 O\n0.596048 0.624817 0.852372 O\n0.871844 0.409517 0.917319 O\n0.628155 0.909517 0.917319 O\n0.338257 0.119117 0.922146 O\n0.161742 0.619117 0.922146 O\n0.576933 0.329120 0.986189 O\n0.923067 0.829120 0.986189 O\n0.275341 0.392045 0.997819 O\n0.224659 0.892046 0.997819 O\n0.256443 0.071537 0.004792 Si\n0.243556 0.571537 0.004792 Si\n0.516502 0.481875 0.204152 Si\n0.983498 0.981874 0.204152 Si\n0.016501 0.481875 0.295848 Si\n0.483498 0.981874 0.295848 Si\n0.756443 0.071537 0.495208 Si\n0.743556 0.571537 0.495208 Si\n0.256443 0.428463 0.504792 Si\n0.243556 0.928463 0.504792 Si\n0.516502 0.018126 0.704152 Si\n0.983498 0.518125 0.704152 Si\n0.016501 0.018126 0.795848 Si\n0.483498 0.518125 0.795848 Si\n0.756443 0.428463 0.995208 Si\n0.743556 0.928463 0.995208 Si\n0.636442 0.188748 0.118507 Tb\n0.863557 0.688747 0.118507 Tb\n0.114684 0.334132 0.124596 Tb\n0.385316 0.834132 0.124596 Tb\n0.614685 0.334132 0.375404 Tb\n0.885316 0.834132 0.375404 Tb\n0.136443 0.188748 0.381492 Tb\n0.363558 0.688747 0.381492 Tb\n0.636442 0.311253 0.618507 Tb\n0.863557 0.811252 0.618507 Tb\n0.114684 0.165868 0.624596 Tb\n0.385316 0.665870 0.624596 Tb\n0.614685 0.165868 0.875403 Tb\n0.885316 0.665870 0.875403 Tb\n0.136443 0.311253 0.881493 Tb\n0.363558 0.811252 0.881493 Tb\n","nsites":112,"nelements":4,"elements":["H","O","Si","Tb"],"chemical_system":"H-O-Si-Tb","density":5.608289542759923,"density_atomic":0.09381031266540041,"volume":1193.8985898008675,"volume_molar":6.419486929416361,"formula_full":"Tb16 Si16 H16 O64","formula_reduced":"TbSiHO4","formula_anonymous":"ABCD4","formation_energy":-2.85328546032012,"spacegroup":61},{"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","nsites":112,"nelements":3,"elements":["H","Mg","N"],"chemical_system":"H-Mg-N","density":1.5195467242394016,"density_atomic":0.11367575509191565,"volume":985.2584652676319,"volume_molar":5.297647466806475,"formula_full":"Mg16 H64 N32","formula_reduced":"Mg(H2N)2","formula_anonymous":"AB2C4","formation_energy":-0.594999436227198,"spacegroup":142},{"id":"oqmd-1101070","created_at":"2022-09-04T15:34:28.719405Z","updated_at":"2022-09-04T15:34:28.719433Z","structure_string":"Sm16 Si16 H16 O64\n1.0\n7.792928 0.000000 0.000000\n0.000000 8.989652 -0.000042\n0.000000 -0.000082 17.557809\nH O Si Sm\n16 64 16 16\ndirect\n0.941849 0.135192 0.004635 H\n0.558152 0.635193 0.004635 H\n0.700752 0.907469 0.217608 H\n0.799249 0.407468 0.217608 H\n0.299244 0.407470 0.282390 H\n0.200755 0.907469 0.282390 H\n0.441847 0.135191 0.495350 H\n0.058154 0.635192 0.495350 H\n0.558152 0.864809 0.504650 H\n0.941848 0.364810 0.504650 H\n0.799245 0.092531 0.717610 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0.277076 0.049272 Li\n0.883761 0.777077 0.049272 Li\n0.277076 0.450727 0.116240 Li\n0.222924 0.950728 0.116240 Li\n0.950728 0.116240 0.222924 Li\n0.549272 0.616239 0.222924 Li\n0.450727 0.116240 0.277076 Li\n0.049272 0.616239 0.277076 Li\n0.777077 0.450727 0.383760 Li\n0.722923 0.950728 0.383760 Li\n0.116240 0.277076 0.450727 Li\n0.383760 0.777077 0.450727 Li\n0.616239 0.222924 0.549272 Li\n0.883761 0.722923 0.549272 Li\n0.277076 0.049272 0.616239 Li\n0.222924 0.549272 0.616239 Li\n0.950728 0.383760 0.722923 Li\n0.549272 0.883761 0.722923 Li\n0.450727 0.383760 0.777077 Li\n0.049272 0.883761 0.777077 Li\n0.777077 0.049272 0.883761 Li\n0.722923 0.549272 0.883761 Li\n0.116240 0.222924 0.950728 Li\n0.383760 0.722923 0.950728 Li\n0.281671 0.107108 0.006209 N\n0.218328 0.607108 0.006209 N\n0.774619 0.140687 0.078326 N\n0.725381 0.640689 0.078326 N\n0.006209 0.281671 0.107108 N\n0.493791 0.781673 0.107108 N\n0.421674 0.274617 0.140687 N\n0.078326 0.774619 0.140687 N\n0.607108 0.006209 0.218328 N\n0.892892 0.506210 0.218328 N\n0.640689 0.421674 0.225382 N\n0.859311 0.921674 0.225382 N\n0.140687 0.421674 0.274617 N\n0.359312 0.921674 0.274617 N\n0.107108 0.006209 0.281671 N\n0.392892 0.506210 0.281671 N\n0.921674 0.274617 0.359312 N\n0.578325 0.774619 0.359312 N\n0.506210 0.281671 0.392892 N\n0.993790 0.781673 0.392892 N\n0.274617 0.140687 0.421674 N\n0.225382 0.640689 0.421674 N\n0.781673 0.107108 0.493791 N\n0.718327 0.607108 0.493791 N\n0.281671 0.392892 0.506210 N\n0.218328 0.892892 0.506210 N\n0.774619 0.359312 0.578325 N\n0.725381 0.859311 0.578325 N\n0.006209 0.218328 0.607108 N\n0.493791 0.718327 0.607108 N\n0.421674 0.225382 0.640689 N\n0.078326 0.725381 0.640689 N\n0.607108 0.493791 0.718327 N\n0.892892 0.993790 0.718327 N\n0.640689 0.078326 0.725381 N\n0.859311 0.578325 0.725381 N\n0.140687 0.078326 0.774619 N\n0.359312 0.578325 0.774619 N\n0.107108 0.493791 0.781673 N\n0.392892 0.993790 0.781673 N\n0.921674 0.225382 0.859311 N\n0.578325 0.725381 0.859311 N\n0.506210 0.218328 0.892892 N\n0.993790 0.718327 0.892892 N\n0.274617 0.359312 0.921674 N\n0.225382 0.859311 0.921674 N\n0.781673 0.392892 0.993790 N\n0.718327 0.892892 0.993790 N\n0.873255 0.252896 0.013531 Si\n0.626745 0.752896 0.013531 Si\n0.752896 0.486468 0.126746 Si\n0.747104 0.986468 0.126746 Si\n0.986468 0.373255 0.247105 Si\n0.513532 0.873255 0.247105 Si\n0.486468 0.373255 0.252896 Si\n0.013531 0.873255 0.252896 Si\n0.252896 0.486468 0.373255 Si\n0.247105 0.986468 0.373255 Si\n0.373255 0.252896 0.486468 Si\n0.126746 0.752896 0.486468 Si\n0.873255 0.247105 0.513532 Si\n0.626745 0.747104 0.513532 Si\n0.752896 0.013531 0.626745 Si\n0.747104 0.513532 0.626745 Si\n0.986468 0.126746 0.747104 Si\n0.513532 0.626745 0.747104 Si\n0.486468 0.126746 0.752896 Si\n0.013531 0.626745 0.752896 Si\n0.252896 0.013531 0.873255 Si\n0.247105 0.513532 0.873255 Si\n0.373255 0.247105 0.986468 Si\n0.126746 0.747104 0.986468 Si\n","nsites":108,"nelements":4,"elements":["Ca","Li","N","Si"],"chemical_system":"Ca-Li-N-Si","density":2.8447618754038295,"density_atomic":0.09279372261461917,"volume":1163.871832672711,"volume_molar":6.489814817550215,"formula_full":"Li24 Ca12 Si24 N48","formula_reduced":"Li2Ca(SiN2)2","formula_anonymous":"AB2C2D4","formation_energy":-1.20249671672674,"spacegroup":205},{"id":"oqmd-1349372","created_at":"2022-09-04T15:46:29.364395Z","updated_at":"2022-09-04T15:46:29.364427Z","structure_string":"Mn12 Nb12 V12 O72\n1.0\n9.548400 0.000000 0.000000\n0.000225 10.999249 0.000000\n3.906409 0.002898 12.187774\nMn Nb O V\n12 12 72 12\ndirect\n0.501838 0.498034 0.000350 Mn\n0.012809 0.669061 0.002344 Mn\n0.490659 0.833316 0.002349 Mn\n0.004200 0.001299 0.004251 Mn\n0.995776 0.331402 0.006835 Mn\n0.493213 0.167430 0.007235 Mn\n0.507021 0.998403 0.493544 Mn\n0.005588 0.500056 0.494894 Mn\n0.501475 0.667577 0.494978 Mn\n0.497752 0.334948 0.496956 Mn\n0.996073 0.166822 0.498608 Mn\n0.997540 0.832559 0.499234 Mn\n0.636804 0.665051 0.176420 Nb\n0.866540 0.669547 0.317715 Nb\n0.860420 0.330422 0.318742 Nb\n0.356711 0.835265 0.320948 Nb\n0.144767 0.000000 0.675872 Nb\n0.643902 0.498632 0.676207 Nb\n0.146311 0.665255 0.676787 Nb\n0.139028 0.334543 0.677145 Nb\n0.637960 0.835935 0.677493 Nb\n0.359836 0.331989 0.826385 Nb\n0.851640 0.168772 0.827769 Nb\n0.857491 0.830741 0.828828 Nb\n0.598619 0.665745 0.043382 O\n0.108517 0.164900 0.054707 O\n0.108856 0.836574 0.055550 O\n0.103161 0.498903 0.055926 O\n0.603628 0.330391 0.056974 O\n0.597738 0.003755 0.057372 O\n0.328202 0.501282 0.143664 O\n0.840883 0.660978 0.143808 O\n0.823166 0.003368 0.144721 O\n0.326112 0.837245 0.148194 O\n0.821516 0.335402 0.149125 O\n0.326186 0.162171 0.149857 O\n0.095091 0.331248 0.210512 O\n0.096102 0.668245 0.210730 O\n0.586778 0.838597 0.212891 O\n0.091196 0.000866 0.213355 O\n0.580796 0.493646 0.214612 O\n0.588006 0.167738 0.216025 O\n0.913224 0.839738 0.275203 O\n0.917915 0.161843 0.276627 O\n0.406563 0.331134 0.279111 O\n0.923358 0.499108 0.280960 O\n0.406887 0.661915 0.282900 O\n0.413583 0.006660 0.284204 O\n0.173834 0.496780 0.346427 O\n0.662070 0.665718 0.346575 O\n0.676977 0.003187 0.348273 O\n0.153911 0.835447 0.348900 O\n0.656990 0.331665 0.350104 O\n0.173347 0.166749 0.353085 O\n0.895098 0.001812 0.439661 O\n0.391280 0.495547 0.441097 O\n0.397126 0.169797 0.442921 O\n0.893749 0.668436 0.453731 O\n0.891339 0.328096 0.453747 O\n0.389800 0.834527 0.455388 O\n0.613287 0.834532 0.540898 O\n0.113781 0.665490 0.542942 O\n0.107668 0.333435 0.543045 O\n0.606986 0.499831 0.543290 O\n0.101308 0.001280 0.545341 O\n0.601385 0.165715 0.556898 O\n0.346640 0.001444 0.643344 O\n0.845580 0.502398 0.646438 O\n0.348666 0.662476 0.647192 O\n0.342583 0.336336 0.648752 O\n0.820703 0.162599 0.649966 O\n0.841266 0.834291 0.651763 O\n0.590421 0.328238 0.718461 O\n0.084018 0.167178 0.719413 O\n0.585346 0.004353 0.720846 O\n0.090902 0.832281 0.722889 O\n0.587398 0.667411 0.723058 O\n0.086677 0.500272 0.725729 O\n0.905450 0.337714 0.782897 O\n0.408618 0.161616 0.784246 O\n0.406311 0.834491 0.784608 O\n0.911998 0.000104 0.787181 O\n0.910335 0.661546 0.787785 O\n0.413326 0.503779 0.790007 O\n0.175583 0.001559 0.853251 O\n0.177086 0.666570 0.853362 O\n0.675248 0.497846 0.854628 O\n0.156719 0.331075 0.857225 O\n0.655359 0.837210 0.857979 O\n0.650133 0.166284 0.859182 O\n0.394474 0.998086 0.945591 O\n0.392639 0.670594 0.945681 O\n0.897160 0.497435 0.946362 O\n0.894410 0.168078 0.958479 O\n0.900185 0.833034 0.959623 O\n0.395606 0.333240 0.959743 O\n0.140702 0.499329 0.178307 V\n0.138518 0.165376 0.179369 V\n0.634978 0.004891 0.179490 V\n0.135923 0.836436 0.181017 V\n0.630534 0.329791 0.182195 V\n0.866344 0.001037 0.315326 V\n0.362581 0.495016 0.316606 V\n0.361490 0.169087 0.320023 V\n0.631297 0.165166 0.680687 V\n0.366588 0.669183 0.821002 V\n0.365001 0.998944 0.821662 V\n0.863830 0.499584 0.824020 V\n","nsites":108,"nelements":4,"elements":["Mn","Nb","O","V"],"chemical_system":"Mn-Nb-O-V","density":4.5889545163808405,"density_atomic":0.08437343400283581,"volume":1280.0237571979126,"volume_molar":7.137484483323976,"formula_full":"Mn12 Nb12 V12 O72","formula_reduced":"MnNbVO6","formula_anonymous":"ABCD6","formation_energy":-2.49822502308545,"spacegroup":1}]}