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B\n0.324894 0.932436 0.408055 B\n0.102513 0.648362 0.502885 B\n0.397487 0.148361 0.002885 B\n0.922363 0.417099 0.755051 B\n0.577638 0.917099 0.255051 B\n0.077638 0.582901 0.244949 B\n0.824894 0.567565 0.091945 B\n0.897487 0.351639 0.497115 B\n0.879992 0.686414 0.014441 O\n0.470398 0.580622 0.362462 O\n0.970398 0.919378 0.137539 O\n0.612189 0.674414 0.576383 O\n0.112189 0.825586 0.923618 O\n0.387811 0.325586 0.423617 O\n0.620008 0.186414 0.514441 O\n0.270072 0.041744 0.019284 O\n0.229928 0.541744 0.519284 O\n0.729929 0.958256 0.980716 O\n0.029602 0.080622 0.862462 O\n0.120008 0.313586 0.985559 O\n0.379992 0.813586 0.485559 O\n0.887811 0.174414 0.076383 O\n0.770072 0.458256 0.480716 O\n0.529603 0.419378 0.637539 O\n0.859501 0.308435 0.856094 O\n0.640500 0.808435 0.356094 O\n0.787244 0.529845 0.725802 O\n0.330980 0.499952 0.922642 O\n0.830980 0.000048 0.577358 O\n0.669020 0.500048 0.077358 O\n0.169020 -0.000048 0.422642 O\n0.554653 0.763201 0.887100 O\n0.054653 0.736799 0.612901 O\n0.445347 0.236799 0.112901 O\n0.287244 0.970155 0.774199 O\n0.140500 0.691565 0.143906 O\n0.945347 0.263201 0.387099 O\n0.212756 0.470155 0.274199 O\n0.467075 0.166286 0.874742 O\n0.532925 0.833714 0.125259 O\n0.032925 0.666287 0.374741 O\n0.576185 0.006489 0.694172 O\n0.076185 0.493511 0.805829 O\n0.423815 0.993511 0.305828 O\n0.923815 0.506490 0.194172 O\n0.359501 0.191565 0.643906 O\n0.712756 0.029845 0.225801 O\n0.967075 0.333713 0.625259 O\n","nsites":68,"nelements":4,"elements":["La","Cd","B","O"],"chemical_system":"B-Cd-La-O","density":4.564649203534633,"density_atomic":0.10041834873664345,"volume":677.1670800755387,"volume_molar":5.997052168019244,"formula_full":"La4 Cd4 B20 O40","formula_reduced":"LaCd(BO2)5","formula_anonymous":"ABC5D10","energy_above_hull":3.266717215686275,"spacegroup":14},{"id":"jvasp-98257","created_at":"2022-09-04T14:35:46.138928Z","updated_at":"2022-09-04T14:35:46.138960Z","structure_string":"Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.745512 0.000000 0.000000\n0.000000 9.819957 -1.644965\n0.000000 0.181006 12.227003\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.674482 0.149699 0.494784 Li\n0.325517 0.850302 0.505217 Li\n0.174482 0.350302 0.505216 Li\n0.825517 0.649699 0.494784 Li\n0.826527 0.883394 0.369367 Be\n0.326527 0.616607 0.630633 Be\n0.173473 0.116607 0.630633 Be\n0.673472 0.383394 0.369367 Be\n0.916445 0.329392 0.731460 H\n0.413355 0.259391 0.988021 H\n0.242856 0.573498 0.085649 H\n0.535407 0.539397 0.852218 H\n0.762549 0.748084 0.123182 H\n0.938992 0.824171 0.731625 H\n0.237450 0.251917 0.876818 H\n0.964592 0.039397 0.852218 H\n0.586645 0.740610 0.011979 H\n0.088797 0.446203 0.155802 H\n0.913355 0.240610 0.011979 H\n0.416446 0.170608 0.268540 H\n0.911203 0.553797 0.844199 H\n0.767086 0.943863 0.673748 H\n0.737450 0.248083 0.123182 H\n0.267086 0.556137 0.326253 H\n0.438992 0.675830 0.268375 H\n0.257143 0.073497 0.085649 H\n0.035407 0.960604 0.147782 H\n0.742856 0.926503 0.914351 H\n0.583554 0.829392 0.731460 H\n0.411203 0.946204 0.155802 H\n0.232914 0.056137 0.326253 H\n0.061008 0.175830 0.268375 H\n0.588797 0.053797 0.844198 H\n0.083554 0.670608 0.268540 H\n0.561008 0.324171 0.731625 H\n0.732914 0.443863 0.673747 H\n0.262550 0.751917 0.876818 H\n0.757143 0.426503 0.914351 H\n0.086645 0.759391 0.988021 H\n0.464593 0.460603 0.147782 H\n0.234544 0.016350 0.154687 C\n0.765455 0.983650 0.845314 C\n0.265456 0.516351 0.154687 C\n0.734544 0.483650 0.845314 C\n0.764364 0.887900 0.738589 N\n0.235636 0.112101 0.261411 N\n0.735635 0.387899 0.738589 N\n0.264364 0.612101 0.261411 N\n0.274228 0.780250 0.957422 O\n0.725771 0.219750 0.042578 O\n0.225771 0.280250 0.957422 O\n0.774228 0.719751 0.042578 O\n0.208385 0.675724 0.526647 F\n0.214213 0.472019 0.632977 F\n0.708385 0.824276 0.473354 F\n0.751530 0.280297 0.262957 F\n0.844616 0.111862 0.621616 F\n0.655383 0.611862 0.621617 F\n0.714213 0.027982 0.367023 F\n0.344617 0.388139 0.378384 F\n0.791614 0.324276 0.473354 F\n0.248470 0.719704 0.737043 F\n0.291615 0.175724 0.526646 F\n0.748470 0.780297 0.262957 F\n0.251530 0.219703 0.737043 F\n0.285787 0.972019 0.632977 F\n0.155383 0.888139 0.378384 F\n0.785786 0.527982 0.367024 F\n","nsites":68,"nelements":7,"elements":["Li","Be","H","C","N","O","F"],"chemical_system":"Be-C-F-H-Li-N-O","density":1.651551170164124,"density_atomic":0.11904758596323928,"volume":571.200158741545,"volume_molar":5.058599644229307,"formula_full":"Li4 Be4 H32 C4 N4 O4 F16","formula_reduced":"LiBeH8CNOF4","formula_anonymous":"ABCDEF4G8","energy_above_hull":2.573200234117647,"spacegroup":14},{"id":"jvasp-98066","created_at":"2022-09-04T14:35:44.875809Z","updated_at":"2022-09-04T14:35:44.875832Z","structure_string":"B20 Pb8 Cl4 O36\n1.0\n6.605529 0.000000 0.000000\n0.000000 11.403927 0.000000\n0.000000 0.000000 11.428218\nB Pb Cl O\n20 8 4 36\ndirect\n0.811208 0.272647 0.959309 B\n0.201935 0.324628 0.272711 B\n0.979895 0.498653 0.742228 B\n0.852474 0.694710 0.816928 B\n0.479895 -0.001347 0.757772 B\n0.201935 0.675372 0.727289 B\n0.311208 0.772647 0.540692 B\n0.036632 0.721597 0.213025 B\n0.701935 0.175372 0.772712 B\n0.979895 0.501348 0.257772 B\n0.352473 0.194710 0.683072 B\n0.479895 0.001347 0.242228 B\n0.036632 0.278403 0.786975 B\n0.852474 0.305290 0.183072 B\n0.311208 0.227353 0.459308 B\n0.701935 0.824628 0.227289 B\n0.811208 0.727353 0.040692 B\n0.536632 0.221597 0.286975 B\n0.352473 0.805290 0.316928 B\n0.536632 0.778403 0.713025 B\n0.832454 0.739435 0.478775 Pb\n0.000603 0.956863 0.746736 Pb\n0.000603 0.043137 0.253265 Pb\n0.832454 0.260565 0.521225 Pb\n0.332454 0.239435 0.021225 Pb\n0.500603 0.543137 0.246736 Pb\n0.332454 0.760565 0.978775 Pb\n0.500603 0.456863 0.753265 Pb\n0.119345 0.000000 0.000000 Cl\n0.873423 0.000000 0.500000 Cl\n0.373423 0.500000 0.000000 Cl\n0.619345 0.500000 0.500000 Cl\n0.159532 0.548165 0.707999 O\n0.328171 0.933609 0.289195 O\n0.571925 0.777716 0.321080 O\n0.071924 0.722284 0.821080 O\n0.502896 0.792709 0.582930 O\n0.328171 0.066392 0.710805 O\n0.159461 0.258687 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O\n","nsites":68,"nelements":4,"elements":["B","Pb","Cl","O"],"chemical_system":"B-Cl-O-Pb","density":4.998943902306915,"density_atomic":0.0789893180401605,"volume":860.8758967310845,"volume_molar":7.623993863243845,"formula_full":"B20 Pb8 Cl4 O36","formula_reduced":"B5Pb2ClO9","formula_anonymous":"AB2C5D9","energy_above_hull":3.156790007303921,"spacegroup":34},{"id":"jvasp-98638","created_at":"2022-09-04T14:35:42.192579Z","updated_at":"2022-09-04T14:35:42.192589Z","structure_string":"Al4 P8 H20 O36\n1.0\n7.249898 0.000000 -2.790608\n0.000000 9.133445 0.000000\n0.007526 0.000000 9.339998\nAl P H O\n4 8 20 36\ndirect\n0.129632 0.281921 0.936020 Al\n0.870369 0.781921 0.563980 Al\n0.870369 0.718078 0.063980 Al\n0.129631 0.218078 0.436020 Al\n0.378857 0.399913 0.267222 P\n0.621144 0.600087 0.732779 P\n0.378857 0.100087 0.767222 P\n0.621143 0.899912 0.232778 P\n0.134838 0.880732 0.366689 P\n0.134838 0.619267 0.866689 P\n0.865163 0.119268 0.633311 P\n0.865162 0.380732 0.133311 P\n0.552474 0.356392 0.069757 H\n0.626406 0.296159 0.423260 H\n0.373594 0.796159 0.076740 H\n0.373594 0.703840 0.576740 H\n0.626407 0.203840 0.923260 H\n0.235070 0.621344 0.242940 H\n0.764931 0.121344 0.257060 H\n0.764931 0.378656 0.757060 H\n0.447527 0.856392 0.430243 H\n0.235070 0.878655 0.742940 H\n0.552474 0.143607 0.569757 H\n0.447527 0.643607 0.930243 H\n0.118772 0.089541 0.138783 H\n0.881229 0.910459 0.861217 H\n0.118772 0.410459 0.638783 H\n0.881229 0.589541 0.361217 H\n0.741911 0.534096 0.436288 H\n0.741911 0.965903 0.936288 H\n0.258090 0.465903 0.563713 H\n0.258090 0.034096 0.063712 H\n0.654826 0.155856 0.529085 O\n0.341950 0.137755 0.598989 O\n0.118141 0.456975 0.820034 O\n0.881860 0.956975 0.679967 O\n0.881860 0.543024 0.179967 O\n0.118141 0.043024 0.320034 O\n0.345175 0.655856 0.970916 O\n0.647027 0.067581 0.207570 O\n0.654826 0.344144 0.029084 O\n0.352974 0.932418 0.792431 O\n0.647027 0.432418 0.707570 O\n0.352974 0.567581 0.292430 O\n0.594380 0.112997 0.856195 O\n0.405621 0.612996 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0.000000\n-0.000000 -0.000000 9.483384\nBi Pt O\n12 12 44\ndirect\n0.116679 0.383320 0.116679 Bi\n0.616679 0.616679 0.616679 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.883320 0.883320 0.616679 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.116679 0.116679 0.383320 Bi\n0.883320 0.616679 0.883320 Bi\n0.616679 0.883320 0.883320 Bi\n0.383320 0.383320 0.383320 Bi\n0.383320 0.116679 0.116679 Bi\n0.092012 0.250000 0.750000 Pt\n0.750000 0.092012 0.250000 Pt\n0.592012 0.750000 0.250000 Pt\n0.250000 0.592012 0.750000 Pt\n0.250000 0.750000 0.407987 Pt\n0.250000 0.907987 0.750000 Pt\n0.407987 0.250000 0.750000 Pt\n0.750000 0.250000 0.592012 Pt\n0.750000 0.250000 0.907987 Pt\n0.250000 0.750000 0.092012 Pt\n0.750000 0.407987 0.250000 Pt\n0.907987 0.750000 0.250000 Pt\n0.538614 0.254652 0.918478 O\n0.038615 0.745348 0.418478 O\n0.581522 0.538614 0.245348 O\n0.754652 0.081522 0.038615 O\n0.038615 0.754652 0.081522 O\n0.605218 0.250000 0.250000 O\n0.750000 0.394782 0.750000 O\n0.353114 0.146885 0.353114 O\n0.250000 0.894781 0.250000 O\n0.353114 0.353114 0.146885 O\n0.461385 0.745348 0.081522 O\n0.918478 0.538614 0.254652 O\n0.750000 0.750000 0.105218 O\n0.250000 0.250000 0.605218 O\n0.245348 0.918478 0.961385 O\n0.394782 0.750000 0.750000 O\n0.894781 0.250000 0.250000 O\n0.254652 0.581522 0.961385 O\n0.245348 0.581522 0.538614 O\n0.745348 0.081522 0.461385 O\n0.254652 0.918478 0.538614 O\n0.646885 0.646885 0.853114 O\n0.461385 0.754652 0.418478 O\n0.146885 0.353114 0.353114 O\n0.750000 0.105218 0.750000 O\n0.081522 0.461385 0.745348 O\n0.853114 0.853114 0.853114 O\n0.581522 0.961385 0.254652 O\n0.250000 0.250000 0.894781 O\n0.146885 0.146885 0.146885 O\n0.081522 0.038615 0.754652 O\n0.961385 0.254652 0.581522 O\n0.750000 0.750000 0.394782 O\n0.418478 0.038615 0.745348 O\n0.418478 0.461385 0.754652 O\n0.853114 0.646885 0.646885 O\n0.754652 0.418478 0.461385 O\n0.918478 0.961385 0.245348 O\n0.538614 0.245348 0.581522 O\n0.745348 0.418478 0.038615 O\n0.646885 0.853114 0.646885 O\n0.105218 0.750000 0.750000 O\n0.961385 0.245348 0.918478 O\n0.250000 0.605218 0.250000 O\n","nsites":68,"nelements":3,"elements":["Bi","Pt","O"],"chemical_system":"Bi-O-Pt","density":10.811026396805858,"density_atomic":0.07972947488834516,"volume":852.8840820189602,"volume_molar":7.553217638061122,"formula_full":"Bi12 Pt12 O44","formula_reduced":"Bi3Pt3O11","formula_anonymous":"A3B3C11","energy_above_hull":2.671076211764705,"spacegroup":201},{"id":"jvasp-101997","created_at":"2022-09-04T14:36:54.216193Z","updated_at":"2022-09-04T14:36:54.216202Z","structure_string":"H40 C20 O8\n1.0\n4.940750 0.000000 -0.666456\n0.000000 9.564304 0.000000\n0.135147 0.000000 11.504071\nH C O\n40 20 8\ndirect\n0.678070 0.873366 0.096868 H\n0.585060 0.174916 0.744423 H\n0.414941 0.825084 0.255577 H\n0.166596 0.539807 0.723723 H\n0.833405 0.460193 0.276277 H\n0.833405 0.039807 0.776277 H\n0.166596 0.960193 0.223723 H\n0.653703 0.447863 0.739996 H\n0.346298 0.552136 0.260004 H\n0.346298 0.947863 0.760004 H\n0.653702 0.052137 0.239996 H\n0.456570 0.368727 0.840669 H\n0.543431 0.868727 0.659331 H\n0.456570 0.131272 0.340669 H\n0.696000 0.500651 0.889726 H\n0.304000 0.499349 0.110274 H\n0.304001 0.000651 0.610274 H\n0.696000 -0.000651 0.389726 H\n0.585060 0.325084 0.244423 H\n0.414941 0.674916 0.755577 H\n0.543430 0.631272 0.159331 H\n0.117929 0.144522 0.454276 H\n0.882072 0.855477 0.545723 H\n0.321930 0.126633 0.903131 H\n0.321930 0.373367 0.403131 H\n0.678071 0.626633 0.596868 H\n0.543420 0.823183 0.951866 H\n0.456581 0.323184 0.548133 H\n0.543420 0.676816 0.451866 H\n0.794021 0.955356 0.973151 H\n0.456580 0.176816 0.048133 H\n0.205980 0.455356 0.526849 H\n0.794021 0.544643 0.473151 H\n0.128843 0.773997 0.069052 H\n0.871158 0.226002 0.930947 H\n0.871158 0.273998 0.430947 H\n0.128843 0.726002 0.569052 H\n0.882071 0.644522 0.045723 H\n0.205980 0.044644 0.026849 H\n0.117929 0.355478 0.954276 H\n0.332088 0.577765 0.788072 C\n0.667912 0.422235 0.211928 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