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11.228203 0.331655\n-0.008153 -0.000000 11.394557\nNb P O\n9 1 25\ndirect\n0.882265 0.782995 0.442837 Nb\n0.674897 0.442837 0.217004 Nb\n0.334741 0.557163 0.782996 Nb\n0.108099 0.217004 0.557163 Nb\n0.000000 0.000000 0.000000 Nb\n0.884351 0.328039 0.891056 Nb\n0.103446 0.671961 0.108944 Nb\n0.224595 0.891056 0.671961 Nb\n0.787611 0.108944 0.328039 Nb\n0.250001 0.500000 0.500000 P\n0.885565 0.062967 0.169052 O\n0.291042 0.709708 0.729514 O\n0.999252 0.270486 0.709708 O\n0.842396 0.954456 0.395799 O\n0.761805 0.395799 0.045544 O\n0.203149 0.604200 0.954456 O\n0.192652 0.045544 0.604201 O\n0.146640 0.489665 0.200735 O\n0.117585 0.937033 0.830948 O\n0.652626 0.200735 0.510335 O\n0.363697 0.799264 0.489665 O\n0.837041 0.510334 0.799265 O\n0.967044 0.614505 0.514522 O\n0.518435 0.514522 0.385495 O\n0.418452 0.485478 0.614505 O\n0.051469 0.830948 0.062966 O\n0.096072 0.385495 0.485478 O\n0.730263 0.290292 0.270486 O\n0.500000 -0.000000 0.000000 O\n0.255648 0.139458 0.365721 O\n0.378632 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0.631352 H\n0.194632 0.194632 0.194632 H\n0.416103 0.194632 0.194632 H\n0.194632 0.416102 0.194632 H\n0.909503 0.090497 0.368649 H\n0.805368 0.805367 0.805369 H\n0.631351 0.090497 0.909504 H\n0.583897 0.805367 0.805369 H\n0.194632 0.194632 0.416103 H\n0.090497 0.631351 0.368649 H\n0.805368 0.805367 0.583898 H\n0.368649 0.090497 0.631352 H\n0.090497 0.909502 0.631352 H\n0.631351 0.909502 0.368650 H\n0.909503 0.631351 0.090498 H\n0.631351 0.368649 0.090498 H\n0.805368 0.583897 0.805369 H\n0.090497 0.368649 0.909504 H\n0.368649 0.909502 0.090498 H\n0.368649 0.631351 0.909504 H\n0.750000 0.750000 0.750001 N\n0.250000 0.250000 0.250000 N\n","nsites":34,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.939106699159531,"density_atomic":0.10808329028790228,"volume":314.5722147191665,"volume_molar":5.571759283011072,"formula_full":"B12 H20 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13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 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0.588843 0.947400 C\n0.680177 0.440009 0.866365 C\n0.745989 0.682704 0.792558 C\n0.991556 0.543783 0.715423 C\n0.343349 0.349017 0.420623 C\n0.075397 0.261423 0.575624 C\n0.155660 0.500059 0.502286 C\n0.410964 0.596051 0.348803 C\n0.605106 0.481121 0.264563 C\n0.830630 0.401799 0.652638 C\n0.236181 0.416809 0.088013 O\n0.575002 0.683436 0.196911 O\n0.800367 0.203442 0.264465 O\n0.736866 0.107466 0.030218 O\n","nsites":34,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.0429912142632394,"density_atomic":0.12805251217473165,"volume":265.51607166914414,"volume_molar":4.7028681106877475,"formula_full":"Cd1 H18 C11 O4","formula_reduced":"CdH18C11O4","formula_anonymous":"AB4C11D18","energy_above_hull":4.563966580882353,"spacegroup":1},{"id":"jvasp-112021","created_at":"2022-09-04T14:38:42.829492Z","updated_at":"2022-09-04T14:38:42.829517Z","structure_string":"H14 C16 N2 O2\n1.0\n5.734309 0.014971 -1.588896\n-2.954681 6.860161 -1.761097\n-0.042366 0.041812 7.388674\nH C N O\n14 16 2 2\ndirect\n0.848955 0.029792 0.218771 H\n0.242617 0.174129 0.358119 H\n0.509380 0.249855 0.577060 H\n0.721597 0.505805 0.865052 H\n0.937117 0.315611 0.809248 H\n0.733932 0.453090 0.467020 H\n0.848841 0.529809 0.218440 H\n0.063362 0.326776 0.161939 H\n0.509512 0.749868 0.577415 H\n0.721724 0.005832 0.865396 H\n0.063485 0.826758 0.162267 H\n0.937244 0.815636 0.809596 H\n0.734057 0.953068 0.467350 H\n0.242739 0.674117 0.358473 H\n0.137044 0.363287 0.900385 C\n0.238677 0.381594 0.597863 C\n0.576131 0.466957 0.929016 C\n0.649600 0.482089 0.127456 C\n0.387530 0.302483 0.483600 C\n0.317963 0.407687 0.810438 C\n0.466193 0.426692 0.214287 C\n0.206934 0.368035 0.096891 C\n0.466315 0.926676 0.214618 C\n0.576253 0.966974 0.929354 C\n0.649719 0.982083 0.127786 C\n0.387656 0.802482 0.483940 C\n0.318088 0.907711 0.810775 C\n0.137171 0.863300 0.900723 C\n0.207058 0.868026 0.097220 C\n0.238802 0.881608 0.598193 C\n0.546865 0.931605 0.409360 N\n0.546740 0.431615 0.409026 N\n0.045220 0.901587 0.503630 O\n0.045091 0.401579 0.503312 O\n","nsites":34,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.5188184504451392,"density_atomic":0.11678132254046161,"volume":291.1424469287022,"volume_molar":5.1567670488690425,"formula_full":"H14 C16 N2 O2","formula_reduced":"H7C8NO","formula_anonymous":"ABC7D8","energy_above_hull":5.434857455882352,"spacegroup":1},{"id":"jvasp-62895","created_at":"2022-09-04T14:35:50.891497Z","updated_at":"2022-09-04T14:35:50.891516Z","structure_string":"Na6 Sc4 B6 O18\n1.0\n7.131126 -4.318856 0.010589\n7.131323 4.319179 0.010638\n4.505174 0.000141 7.015172\nNa Sc B O\n6 4 6 18\ndirect\n0.417684 0.082115 0.750175 Na\n0.749906 0.417791 0.082325 Na\n0.917722 0.249942 0.582330 Na\n0.249860 0.582143 0.917976 Na\n0.582083 0.917817 0.250125 Na\n0.082046 0.749990 0.417970 Na\n0.827370 0.827454 0.827637 Sc\n0.172397 0.172479 0.172663 Sc\n0.327367 0.327453 0.327639 Sc\n0.672399 0.672479 0.672661 Sc\n0.249892 0.909649 0.590459 B\n0.090194 0.409647 0.750146 B\n0.909573 0.590285 0.250154 B\n0.590201 0.249972 0.909829 B\n0.749875 0.090284 0.409841 B\n0.409566 0.749960 0.090471 B\n0.570276 0.749936 0.929787 O\n0.929518 0.570357 0.750122 O\n0.749854 0.929603 0.570548 O\n0.429491 0.249997 0.070513 O\n0.070249 0.429575 0.250178 O\n0.249913 0.070329 0.429752 O\n0.844341 0.685007 0.095337 O\n0.684930 0.095151 0.844610 O\n0.814844 0.655564 0.404937 O\n0.404680 0.814920 0.655736 O\n0.655465 0.404768 0.815085 O\n0.155426 0.314927 0.904963 O\n0.904690 0.155522 0.315120 O\n0.184924 0.344368 0.595363 O\n0.595087 0.185012 0.344564 O\n0.344302 0.595165 0.185215 O\n0.095076 0.844410 0.685180 O\n0.314836 0.904781 0.155690 O\n","nsites":34,"nelements":4,"elements":["Na","Sc","B","O"],"chemical_system":"B-Na-O-Sc","density":2.579418809757005,"density_atomic":0.0787547619816197,"volume":431.71992581140864,"volume_molar":7.646700476861943,"formula_full":"Na6 Sc4 B6 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O\n0.684487 0.622792 0.307279 O\n0.302843 0.802843 0.783297 O\n0.750000 0.750000 0.000000 O\n0.184487 0.877209 0.061697 O\n0.877209 0.815514 0.692722 O\n0.802843 0.019546 0.500000 O\n0.019546 0.519547 0.216704 O\n0.315514 0.377209 0.692722 O\n0.377209 0.684487 0.061697 O\n0.697158 0.197158 0.216704 O\n0.197158 0.980455 0.500001 O\n0.480454 0.697158 0.500001 O\n0.122792 0.184487 0.307279 O\n0.622792 0.315514 0.938305 O\n","nsites":34,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.9019371818901596,"density_atomic":0.10188664330917534,"volume":333.70419218569106,"volume_molar":5.9106282868950695,"formula_full":"Li10 V2 P4 O18","formula_reduced":"Li5VP2O9","formula_anonymous":"AB2C5D9","energy_above_hull":2.468448629411765,"spacegroup":140}]}