{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=109","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=107","results":[{"id":"mp-1245323","created_at":"2022-09-04T14:39:09.222168Z","structure_string":"Al40 O60\n1.0\n10.193517 0.412527 -0.595361\n0.379613 10.307666 0.113041\n-0.557371 0.107069 10.670602\nAl O\n40 60\ndirect\n0.350269 0.571433 0.381950 Al\n0.433958 0.007669 0.635566 Al\n0.920634 0.707970 0.555256 Al\n0.972450 0.630858 0.943606 Al\n0.373182 0.864414 0.874118 Al\n0.945001 0.135063 0.660603 Al\n0.337183 0.296475 0.538077 Al\n0.942160 0.971305 0.969701 Al\n0.191663 0.763920 0.054301 Al\n0.070464 0.393929 0.688122 Al\n0.785416 0.670261 0.199832 Al\n0.700851 0.228615 0.085184 Al\n0.718009 0.967472 0.229965 Al\n0.453186 0.708466 0.625635 Al\n0.093219 0.863506 0.771518 Al\n0.975758 0.180124 0.105121 Al\n0.863562 0.371816 0.886476 Al\n0.845296 0.205630 0.382269 Al\n0.463217 0.043067 0.361502 Al\n0.415165 0.309267 0.014334 Al\n0.480136 0.302771 0.291745 Al\n0.787948 0.830820 0.769767 Al\n0.497420 0.774064 0.323376 Al\n0.225250 0.915077 0.242621 Al\n0.179011 0.593819 0.614042 Al\n0.142625 0.125514 0.440949 Al\n0.723319 0.988655 0.522319 Al\n0.473622 0.536988 0.163482 Al\n0.719704 0.518733 0.387512 Al\n0.672818 0.610881 0.943533 Al\n0.128156 0.448282 0.098475 Al\n0.778406 0.546240 0.700676 Al\n0.308210 0.556898 0.840498 Al\n0.203508 0.293106 0.291400 Al\n0.176058 0.127175 0.872413 Al\n0.040825 0.573213 0.375739 Al\n0.475950 0.261621 0.795428 Al\n0.986997 0.871733 0.278915 Al\n0.608500 0.033396 0.927986 Al\n0.643355 0.258620 0.542822 Al\n0.573351 0.926865 0.287208 O\n0.319828 0.203973 0.918464 O\n0.795968 0.844056 0.601498 O\n0.622951 0.668274 0.695261 O\n0.986485 0.452624 0.969793 O\n0.078179 0.219362 0.740509 O\n0.308004 0.118645 0.546666 O\n0.587813 0.220212 0.931851 O\n0.953421 0.007226 0.136264 O\n0.378400 0.660569 0.236829 O\n0.505038 0.087945 0.764186 O\n0.108090 0.986857 0.348878 O\n0.763152 0.134610 0.614426 O\n0.754837 0.341906 0.454331 O\n0.550300 0.978819 0.525632 O\n0.564754 0.580194 0.046930 O\n0.824577 0.832019 0.209666 O\n0.835213 0.249165 0.990504 O\n0.718398 0.480826 0.846692 O\n0.358702 0.175814 0.267248 O\n0.820809 0.652590 0.034621 O\n0.224332 0.965842 0.818723 O\n0.129581 0.609939 0.039079 O\n0.550580 0.295082 0.142742 O\n0.403249 0.854500 0.695867 O\n0.347633 0.605511 0.687219 O\n0.771279 0.592209 0.538325 O\n0.124479 0.468382 0.267591 O\n0.221385 0.381092 0.613998 O\n0.301499 0.715655 0.914813 O\n0.679797 0.059762 0.093172 O\n0.331461 0.426524 0.113114 O\n0.017281 0.534270 0.550098 O\n0.891948 0.394219 0.721513 O\n0.635593 0.743092 0.817338 O\n0.208155 0.615865 0.451222 O\n0.844713 0.235548 0.219897 O\n0.468558 0.673694 0.468081 O\n0.268812 0.909306 0.087207 O\n0.646869 0.673924 0.290721 O\n0.116505 0.785929 0.207931 O\n0.116142 0.273659 0.135192 O\n0.033259 0.817629 0.929111 O\n0.504660 0.307862 0.629533 O\n0.985738 0.164387 0.502453 O\n0.362779 0.903360 0.355693 O\n0.790803 0.036125 0.378700 O\n0.554084 0.460402 0.312408 O\n0.144088 0.522081 0.782681 O\n0.082521 0.750722 0.650672 O\n0.879012 0.669544 0.784960 O\n0.962987 0.981621 0.734195 O\n0.866233 0.539268 0.300025 O\n0.515863 0.904361 0.956514 O\n0.418649 0.414706 0.872526 O\n0.041895 0.105410 0.958392 O\n0.970178 0.746246 0.404127 O\n0.563711 0.188062 0.407817 O\n0.354120 0.386529 0.393490 O\n0.775785 0.953064 0.885967 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0344871697116456,"density_atomic":0.089612985334067,"volume":1115.909704684108,"volume_molar":6.72016531705773,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-747.6701858,"energy_per_atom":-7.476701858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-719.7701858,"band_gap":1.705699999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0089086,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.766000Z","spacegroup":1},{"id":"mp-1245043","created_at":"2022-09-04T14:47:09.099952Z","structure_string":"Al40 O60\n1.0\n10.568150 0.096305 -0.464976\n0.097150 10.504500 0.049019\n-0.485833 0.032918 10.171389\nAl O\n40 60\ndirect\n0.573611 0.521094 0.769193 Al\n0.723513 0.661821 0.551145 Al\n0.318663 0.022521 0.579110 Al\n0.534934 0.565726 0.034862 Al\n0.824325 0.452783 0.332004 Al\n0.157696 0.745651 0.528312 Al\n0.393093 0.349224 0.513366 Al\n0.975310 0.221081 0.313130 Al\n0.307818 0.420945 0.210727 Al\n0.869391 0.442991 0.786174 Al\n0.416314 0.635812 0.345641 Al\n0.221912 0.562716 0.985587 Al\n0.563687 0.366041 0.292302 Al\n0.910848 0.895379 0.704326 Al\n0.673214 0.783759 0.851772 Al\n0.120291 0.771302 0.794038 Al\n0.531442 0.101340 0.322132 Al\n0.193650 0.498361 0.694421 Al\n0.382009 0.732819 0.832211 Al\n0.634581 0.970503 0.602967 Al\n0.730599 0.159888 0.811153 Al\n0.991510 0.425477 0.103291 Al\n0.978955 0.481243 0.531383 Al\n0.002865 0.812148 0.240004 Al\n0.289185 0.881267 0.338954 Al\n0.684466 0.367225 0.592142 Al\n0.833358 0.005828 0.978985 Al\n0.751944 0.233554 0.153436 Al\n0.471070 0.024089 0.854210 Al\n0.481147 0.753588 0.573043 Al\n0.770847 0.990370 0.378842 Al\n0.506136 0.864165 0.153312 Al\n0.749575 0.805745 0.158798 Al\n0.380042 0.350244 0.826524 Al\n0.365740 0.143352 0.056225 Al\n0.203040 0.993007 0.864196 Al\n0.110681 0.039415 0.142904 Al\n0.280329 0.196897 0.337276 Al\n0.925019 0.668869 0.956883 Al\n0.136575 0.545474 0.336846 Al\n0.118130 0.140378 0.285264 O\n0.226428 0.371827 0.355639 O\n0.006428 0.459003 0.702933 O\n0.660789 0.790892 0.660547 O\n0.696456 0.381058 0.426431 O\n0.834828 0.025707 0.804344 O\n0.945517 0.342810 0.433235 O\n0.300706 0.176269 0.515479 O\n0.592559 0.207515 0.201526 O\n0.131570 0.540403 0.519852 O\n0.415418 0.198872 0.903632 O\n0.056244 0.939309 0.800296 O\n0.810544 0.938675 0.557365 O\n0.903453 0.493018 0.951347 O\n0.231155 0.668967 0.713255 O\n0.594627 0.075996 0.745584 O\n0.640141 0.070900 0.461852 O\n0.321545 0.254161 0.169144 O\n0.787931 0.297336 0.732755 O\n0.209530 0.916512 0.494629 O\n0.833946 0.130838 0.301517 O\n0.961427 0.987122 0.089521 O\n0.088519 0.666286 0.929339 O\n0.853438 0.764415 0.825312 O\n0.537950 0.373517 0.652003 O\n0.629299 0.946045 0.250916 O\n0.578257 0.683521 0.452334 O\n0.732156 0.525448 0.680204 O\n0.082494 0.712987 0.364292 O\n0.367053 0.036893 0.301612 O\n0.722662 0.885207 0.998633 O\n0.268867 0.587758 0.245629 O\n0.450002 0.476457 0.405708 O\n0.022858 0.773125 0.634315 O\n0.844591 0.578950 0.466034 O\n0.930898 0.277775 0.145035 O\n0.901423 0.723947 0.114756 O\n0.331001 0.718811 0.473294 O\n0.155250 0.446712 0.088614 O\n0.603512 0.715615 0.134891 O\n0.404672 0.791973 0.256535 O\n0.512551 0.436333 0.899442 O\n0.241068 0.445771 0.862760 O\n0.748579 0.160653 0.987716 O\n0.315583 0.033767 0.752520 O\n0.260717 0.836542 0.884066 O\n0.377286 0.635824 0.979126 O\n0.853414 0.861674 0.299446 O\n0.472027 0.466381 0.163110 O\n0.723707 0.406875 0.191387 O\n0.203573 0.081941 0.011385 O\n0.464868 0.925543 0.568002 O\n0.466666 0.643809 0.706713 O\n0.508853 0.851180 0.842647 O\n0.309510 0.383755 0.656691 O\n0.976568 0.505392 0.255489 O\n0.452036 0.994375 0.036946 O\n0.647806 0.622537 0.905953 O\n0.467328 0.251923 0.387545 O\n0.152538 0.890197 0.218314 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0055094764066137,"density_atomic":0.08875723032179399,"volume":1126.668775461388,"volume_molar":6.784957955725312,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-767.1736052800001,"energy_per_atom":-7.671736052800001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-725.95360528,"band_gap":3.2353,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.338000Z","spacegroup":1},{"id":"mp-1245055","created_at":"2022-09-04T14:47:13.395378Z","structure_string":"Al40 O60\n1.0\n10.008200 -0.442973 -0.121157\n-0.439796 10.107508 -0.299202\n-0.125461 -0.302644 10.431133\nAl O\n40 60\ndirect\n0.753791 0.587847 0.516274 Al\n0.693304 0.814512 0.384134 Al\n0.487689 0.837278 0.769622 Al\n0.843748 0.563833 0.003867 Al\n0.865986 0.312261 0.106527 Al\n0.286859 0.864016 0.596252 Al\n0.197778 0.538849 0.549936 Al\n0.985058 0.270884 0.565588 Al\n0.401587 0.438249 0.238852 Al\n0.804983 0.338156 0.827072 Al\n0.462042 0.657441 0.484461 Al\n0.267640 0.535204 0.844990 Al\n0.683282 0.304244 0.443904 Al\n0.787358 0.054090 0.585212 Al\n0.719337 0.069955 0.949509 Al\n0.974547 0.836003 0.639534 Al\n0.319267 0.135542 0.120306 Al\n0.013032 0.058847 0.807918 Al\n0.600188 0.542047 0.766116 Al\n0.496486 0.061103 0.430108 Al\n0.564496 0.124021 0.740129 Al\n0.115369 0.567923 0.171264 Al\n0.968876 0.559350 0.722534 Al\n0.168521 0.758610 0.349289 Al\n0.367743 0.650922 0.099187 Al\n0.363245 0.327995 0.512135 Al\n0.023783 0.093019 0.081190 Al\n0.581388 0.225093 0.178651 Al\n0.783592 0.791840 0.810673 Al\n0.142714 0.021439 0.437505 Al\n0.783586 0.043210 0.266205 Al\n0.636943 0.554864 0.194329 Al\n0.472369 0.937791 0.168212 Al\n0.466790 0.382461 0.937908 Al\n0.209092 0.917533 0.913761 Al\n0.688453 0.827591 0.075720 Al\n0.120335 0.297746 0.313739 Al\n0.276076 0.233797 0.787166 Al\n0.995889 0.826723 0.158839 Al\n0.889219 0.525187 0.300182 Al\n0.831314 0.879980 0.193961 O\n0.162195 0.184528 0.163552 O\n0.732906 0.172959 0.794102 O\n0.037599 0.880160 0.799768 O\n0.511005 0.246649 0.490544 O\n0.925986 0.387325 0.706892 O\n0.081892 0.410074 0.483862 O\n0.321596 0.997470 0.476972 O\n0.704188 0.228464 0.048767 O\n0.918292 0.662850 0.595040 O\n0.437735 0.260443 0.070386 O\n0.970530 0.115432 0.657590 O\n0.066815 0.168276 0.420809 O\n0.789098 0.464319 0.159351 O\n0.270932 0.671494 0.954620 O\n0.815871 0.895920 0.675111 O\n0.677041 0.170666 0.316157 O\n0.911050 0.401928 0.962774 O\n0.661628 0.485774 0.619661 O\n0.110596 0.898267 0.554756 O\n0.432497 0.097651 0.251157 O\n0.927396 0.124378 0.942088 O\n0.506296 0.780772 0.099630 O\n0.775476 0.899651 0.943959 O\n0.640536 0.712774 0.510772 O\n0.336289 0.975549 0.045340 O\n0.868243 0.639211 0.840817 O\n0.255227 0.369793 0.895856 O\n0.245774 0.728845 0.204505 O\n0.185451 0.096595 0.859691 O\n0.641325 0.003496 0.116737 O\n0.372281 0.506780 0.546781 O\n0.571356 0.384143 0.271014 O\n0.011046 0.400354 0.219444 O\n0.807213 0.221575 0.529196 O\n0.903888 0.153669 0.188402 O\n0.073052 0.931048 0.045634 O\n0.244503 0.701906 0.487446 O\n0.471804 0.603869 0.314952 O\n0.090400 0.902079 0.306133 O\n0.548944 0.905398 0.337217 O\n0.454751 0.234123 0.806447 O\n0.260013 0.489229 0.152664 O\n0.665702 0.433471 0.877568 O\n0.443867 0.793354 0.604803 O\n0.488779 0.511443 0.080844 O\n0.150261 0.570651 0.714997 O\n0.715537 0.659012 0.062108 O\n0.613714 0.721209 0.793171 O\n0.760315 0.657652 0.319503 O\n0.309651 0.876215 0.773939 O\n0.596933 0.045853 0.585948 O\n0.804725 0.445962 0.424500 O\n0.437405 0.510525 0.813323 O\n0.250844 0.257924 0.623675 O\n0.039503 0.629739 0.325482 O\n0.563122 0.989252 0.843894 O\n0.991556 0.656104 0.087954 O\n0.299060 0.335999 0.347619 O\n0.802581 0.963367 0.426383 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.2186283050244024,"density_atomic":0.09505095093922347,"volume":1052.0673282263215,"volume_molar":6.335697539576028,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-767.6632980100001,"energy_per_atom":-7.676632980100001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-726.44329801,"band_gap":3.9786,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0081686,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.083000Z","spacegroup":1},{"id":"mp-1245183","created_at":"2022-09-04T14:47:32.646415Z","structure_string":"Al40 O60\n1.0\n9.923295 0.013602 0.324894\n0.028867 11.100649 0.116163\n0.314393 0.122730 10.172926\nAl O\n40 60\ndirect\n0.153344 0.517206 0.520756 Al\n0.665228 0.140727 0.730852 Al\n0.940975 0.693055 0.374980 Al\n0.306800 0.595090 0.872194 Al\n0.448497 0.995541 0.631475 Al\n0.902255 0.349781 0.736344 Al\n0.189082 0.203989 0.507834 Al\n0.416209 0.141451 0.875274 Al\n0.251458 0.192159 0.197213 Al\n0.821753 0.565819 0.634794 Al\n0.749976 0.571118 0.900434 Al\n0.849964 0.066900 0.000677 Al\n0.691354 0.018034 0.447288 Al\n0.683586 0.845552 0.946502 Al\n0.038905 0.705364 0.755062 Al\n0.968783 0.312716 0.040672 Al\n0.123060 0.184384 0.812323 Al\n0.138895 0.940049 0.349124 Al\n0.555160 0.913180 0.245792 Al\n0.186667 0.927093 0.815188 Al\n0.463919 0.173725 0.425230 Al\n0.202285 0.743263 0.033303 Al\n0.437314 0.637615 0.364337 Al\n0.964915 0.150519 0.295845 Al\n0.279887 0.773636 0.567086 Al\n0.921525 0.139428 0.543424 Al\n0.862494 0.940404 0.740029 Al\n0.677048 0.331645 0.963740 Al\n0.638867 0.409955 0.436112 Al\n0.510823 0.561629 0.600786 Al\n0.461995 0.410332 0.214535 Al\n0.679262 0.775975 0.618098 Al\n0.503139 0.706871 0.099911 Al\n0.915694 0.412829 0.436080 Al\n0.102336 0.025307 0.072150 Al\n0.844502 0.522351 0.182705 Al\n0.353634 0.343906 0.992566 Al\n0.174450 0.498794 0.144098 Al\n0.863178 0.864193 0.203471 Al\n0.359865 0.372667 0.674067 Al\n0.348367 0.183893 0.042084 O\n0.312272 0.878154 0.695667 O\n0.837064 0.707244 0.530529 O\n0.647614 0.622908 0.687792 O\n0.004459 0.448969 0.124373 O\n0.771359 0.437315 0.546146 O\n0.009460 0.277047 0.427415 O\n0.021734 0.315675 0.866047 O\n0.003328 0.837654 0.313167 O\n0.473251 0.566729 0.195754 O\n0.584921 0.229296 0.863157 O\n0.073488 0.160566 0.650818 O\n0.821711 0.223682 0.670570 O\n0.375577 0.527567 0.732853 O\n0.837329 0.994899 0.582529 O\n0.518926 0.375303 0.046123 O\n0.154962 0.682596 0.876275 O\n0.556214 0.886841 0.068265 O\n0.757220 0.423014 0.819683 O\n0.287026 0.369956 0.180300 O\n0.297327 0.204429 0.357428 O\n0.731661 0.832931 0.772769 O\n0.251184 0.862960 0.434894 O\n0.808870 0.230615 0.034960 O\n0.776509 0.047177 0.846072 O\n0.586345 0.898653 0.553669 O\n0.582073 0.560859 0.426317 O\n0.016682 0.546727 0.399068 O\n0.025619 0.870683 0.757754 O\n0.650051 0.686311 0.979256 O\n0.722501 0.903047 0.308341 O\n0.289279 0.551987 0.406033 O\n0.851117 0.678668 0.225928 O\n0.886375 0.629532 0.792726 O\n0.157347 0.652773 0.165282 O\n0.794568 0.417549 0.309247 O\n0.064110 0.070605 0.420849 O\n0.432421 0.697789 0.542930 O\n0.021923 0.087357 0.932555 O\n0.828147 0.893248 0.029763 O\n0.374390 0.703386 0.980676 O\n0.070763 0.217979 0.151968 O\n0.346293 0.121676 0.568312 O\n0.531550 0.047997 0.334650 O\n0.597047 0.129222 0.558811 O\n0.161152 0.890884 0.992440 O\n0.469884 0.773413 0.265027 O\n0.812282 0.137367 0.391551 O\n0.252165 0.475357 0.975812 O\n0.209775 0.024010 0.203307 O\n0.142036 0.667184 0.611838 O\n0.252193 0.072738 0.838146 O\n0.533573 0.316981 0.338679 O\n0.514616 0.034427 0.783371 O\n0.324331 0.286482 0.822566 O\n0.986075 0.464176 0.630526 O\n0.761965 0.477512 0.044863 O\n0.516071 0.392562 0.588666 O\n0.222972 0.362221 0.573037 O\n0.936145 0.028227 0.168734 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0252387880674116,"density_atomic":0.08933986666778267,"volume":1119.3211242620037,"volume_molar":6.740709365947237,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-769.33739283,"energy_per_atom":-7.6933739283,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-728.11739283,"band_gap":3.4985,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.335000Z","spacegroup":1},{"id":"mp-752826","created_at":"2022-09-04T14:42:54.461674Z","structure_string":"Al10 O15\n1.0\n5.601597 0.000000 0.000000\n-2.795551 4.890928 0.000000\n-1.561336 -1.321504 9.157041\nAl O\n10 15\ndirect\n0.586338 0.255048 0.121660 Al\n0.921234 0.000717 0.015352 Al\n0.926529 0.951705 0.313216 Al\n0.470431 0.466695 0.329288 Al\n0.754081 0.870221 0.631034 Al\n0.335651 0.432830 0.823921 Al\n0.394930 0.173475 0.557847 Al\n0.026419 0.517645 0.495377 Al\n0.845955 0.438574 0.826308 Al\n0.331210 0.916240 0.820535 Al\n0.787704 0.100753 0.169559 O\n0.174939 0.319404 0.429986 O\n0.255695 0.144865 0.181803 O\n0.718607 0.601348 0.204351 O\n0.660254 0.815233 0.434469 O\n0.138481 0.073456 0.690699 O\n0.598205 0.526199 0.690627 O\n0.152900 0.846297 0.438270 O\n0.655982 0.328713 0.443340 O\n0.045102 0.794290 0.923800 O\n0.115619 0.561672 0.696211 O\n0.600913 0.066679 0.689354 O\n0.543556 0.279119 0.926515 O\n0.549481 0.788096 0.914321 O\n0.049782 0.300722 0.922158 O\n","nsites":25,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.374396249072144,"density_atomic":0.09965101338957634,"volume":250.87552198054257,"volume_molar":6.043230826421206,"formula_full":"Al10 O15","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-195.37038953,"energy_per_atom":-7.8148155812,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.06538953,"band_gap":4.0173000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0127651,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.756000Z","spacegroup":1},{"id":"mp-1105018","created_at":"2022-09-04T14:44:27.736130Z","structure_string":"Al4 O6\n1.0\n4.613763 0.000000 0.000000\n0.000000 4.613763 0.000000\n0.000000 0.000000 4.613763\nAl O\n4 6\ndirect\n0.250000 0.750000 0.750000 Al\n0.750000 0.250000 0.750000 Al\n0.750000 0.750000 0.250000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":10,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.44785119845661,"density_atomic":0.10182024889256588,"volume":98.21229184532196,"volume_molar":5.91448245854729,"formula_full":"Al4 O6","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-70.22884566,"energy_per_atom":-7.022884566,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.10684566,"band_gap":0.2338000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004147,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.857000Z","spacegroup":224},{"id":"mp-1244909","created_at":"2022-09-04T14:44:28.266422Z","structure_string":"Al40 O60\n1.0\n10.968311 0.414557 -0.181780\n0.390365 9.935079 -0.344608\n-0.172545 -0.339802 9.980008\nAl O\n40 60\ndirect\n0.378401 0.591798 0.358185 Al\n0.397859 0.007259 0.908315 Al\n0.904721 0.680219 0.612749 Al\n0.981111 0.500503 0.840948 Al\n0.249314 0.809849 0.778523 Al\n0.888498 0.212809 0.664482 Al\n0.325516 0.266418 0.599980 Al\n0.918260 0.065526 0.018864 Al\n0.311920 0.785105 0.098150 Al\n0.099080 0.357871 0.612358 Al\n0.813761 0.558490 0.147352 Al\n0.646238 0.179881 0.982815 Al\n0.745391 0.149329 0.262551 Al\n0.490339 0.854955 0.618931 Al\n0.005970 0.915832 0.749065 Al\n0.982485 0.314126 0.119720 Al\n0.771731 0.366983 0.903668 Al\n0.997121 0.100883 0.304133 Al\n0.517285 0.992144 0.400542 Al\n0.335666 0.303693 0.028066 Al\n0.488561 0.286958 0.243681 Al\n0.834734 0.769787 0.932490 Al\n0.621855 0.734002 0.310403 Al\n0.109925 0.854889 0.248771 Al\n0.177278 0.618883 0.592282 Al\n0.262014 0.003036 0.394625 Al\n0.776588 0.952489 0.511424 Al\n0.510494 0.546118 0.090264 Al\n0.855367 0.423665 0.434165 Al\n0.609070 0.661858 0.856719 Al\n0.158239 0.545657 0.085435 Al\n0.625978 0.578657 0.562018 Al\n0.328016 0.554851 0.843468 Al\n0.229207 0.310864 0.326086 Al\n0.139557 0.137690 0.838127 Al\n0.062279 0.598570 0.345526 Al\n0.522820 0.344985 0.735950 Al\n0.860780 0.858934 0.238322 Al\n0.591384 0.919826 0.072056 Al\n0.632197 0.247377 0.516450 Al\n0.548580 0.885931 0.251266 O\n0.303176 0.161625 0.919064 O\n0.876791 0.859316 0.621760 O\n0.578833 0.706829 0.687115 O\n0.024964 0.478671 0.012525 O\n0.187981 0.222509 0.689220 O\n0.300668 0.170026 0.433297 O\n0.617393 0.313693 0.873019 O\n0.990612 0.959404 0.163794 O\n0.402042 0.649421 0.190211 O\n0.548128 0.054141 0.951550 O\n0.103484 0.994982 0.397914 O\n0.753308 0.141279 0.599539 O\n0.609749 0.416250 0.613696 O\n0.613426 0.931697 0.539195 O\n0.485062 0.586256 0.919481 O\n0.858559 0.716643 0.100081 O\n0.797394 0.166219 0.931490 O\n0.729733 0.545389 0.891646 O\n0.332422 0.239907 0.190856 O\n0.829258 0.395950 0.069832 O\n0.996153 0.092500 0.722511 O\n0.161416 0.715209 0.136548 O\n0.473058 0.380357 0.085651 O\n0.389767 0.907571 0.751867 O\n0.314086 0.647696 0.689273 O\n0.786961 0.571100 0.537098 O\n0.162621 0.473722 0.245591 O\n0.217598 0.396527 0.507699 O\n0.268906 0.716977 0.926415 O\n0.628336 0.220282 0.156254 O\n0.265605 0.459477 0.978320 O\n0.022766 0.582076 0.517615 O\n0.891790 0.358721 0.783873 O\n0.668230 0.805226 0.941254 O\n0.232274 0.653911 0.425704 O\n0.885675 0.184479 0.185017 O\n0.532598 0.656709 0.430721 O\n0.263668 0.912078 0.232985 O\n0.649932 0.598746 0.180449 O\n0.997522 0.763281 0.319682 O\n0.081958 0.246175 0.271057 O\n0.163745 0.960013 0.844608 O\n0.491032 0.209695 0.615802 O\n0.955950 0.310775 0.535752 O\n0.392980 0.920584 0.478712 O\n0.848136 0.034432 0.373783 O\n0.737363 0.311105 0.393122 O\n0.108223 0.494201 0.736138 O\n0.108305 0.779188 0.675906 O\n0.907167 0.660431 0.795033 O\n0.917922 0.911953 0.903619 O\n0.911778 0.501647 0.291722 O\n0.425416 0.884674 0.030233 O\n0.369735 0.395975 0.746398 O\n0.040845 0.185096 0.987562 O\n0.761004 0.800669 0.366069 O\n0.566648 0.151871 0.369752 O\n0.429635 0.418907 0.361395 O\n0.741524 0.976661 0.143195 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.122748809308417,"density_atomic":0.09221948474315753,"volume":1084.36953728935,"volume_molar":6.530225989412536,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-772.20958222,"energy_per_atom":-7.7220958222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-730.98958222,"band_gap":3.8764,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030663,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.402000Z","spacegroup":1},{"id":"mp-875","created_at":"2022-09-04T14:42:44.576322Z","structure_string":"Al1 Os1\n1.0\n3.017968 0.000000 0.000000\n0.000000 3.017968 0.000000\n0.000000 0.000000 3.017968\nAl Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Os\n","nsites":2,"nelements":2,"elements":["Al","Os"],"chemical_system":"Al-Os","density":13.121639371456048,"density_atomic":0.07275889654250073,"volume":27.488047442167268,"volume_molar":8.276844545714463,"formula_full":"Al1 Os1","formula_reduced":"AlOs","formula_anonymous":"AB","energy":-15.77462007,"energy_per_atom":-7.887310035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.77462007,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020531,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.188000Z","spacegroup":221},{"id":"mp-16521","created_at":"2022-09-04T14:40:13.085220Z","structure_string":"Al3 Os2\n1.0\n-1.564011 1.564011 7.130836\n1.564011 -1.564011 7.130836\n1.564011 1.564011 -7.130836\nAl Os\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.196260 0.196260 0.000000 Al\n0.803740 0.803740 0.000000 Al\n0.393525 0.393525 0.000000 Os\n0.606475 0.606475 0.000000 Os\n","nsites":5,"nelements":2,"elements":["Al","Os"],"chemical_system":"Al-Os","density":10.981229956906848,"density_atomic":0.07166217055134526,"volume":69.77181909969568,"volume_molar":8.403514313992478,"formula_full":"Al3 Os2","formula_reduced":"Al3Os2","formula_anonymous":"A2B3","energy":-36.13464179,"energy_per_atom":-7.226928358,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.13464179,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0291815,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.840000Z","spacegroup":139},{"id":"mp-567929","created_at":"2022-09-04T14:43:37.852085Z","structure_string":"Al13 Os4\n1.0\n2.120676 8.855365 0.000000\n-2.120676 8.855365 0.000000\n0.000000 3.405754 7.037310\nAl Os\n13 4\ndirect\n0.869917 0.869917 0.155756 Al\n0.791673 0.791673 0.915108 Al\n0.588354 0.588354 0.199017 Al\n0.587589 0.587589 0.633226 Al\n0.130083 0.130083 0.844244 Al\n0.740984 0.740984 0.615042 Al\n0.085210 0.085210 0.430802 Al\n0.412411 0.412411 0.366774 Al\n0.500000 0.500000 0.000000 Al\n0.411646 0.411646 0.800983 Al\n0.259016 0.259016 0.384958 Al\n0.208327 0.208327 0.084892 Al\n0.914790 0.914790 0.569198 Al\n0.008278 0.008278 0.195737 Os\n0.294199 0.294199 0.708442 Os\n0.991722 0.991722 0.804263 Os\n0.705801 0.705801 0.291558 Os\n","nsites":17,"nelements":2,"elements":["Al","Os"],"chemical_system":"Al-Os","density":6.984115683995712,"density_atomic":0.06431784061536144,"volume":264.31235621955534,"volume_molar":9.3630953750672,"formula_full":"Al13 Os4","formula_reduced":"Al13Os4","formula_anonymous":"A4B13","energy":-101.14656317,"energy_per_atom":-5.949797833529411,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.14656317,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009213,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.860000Z","spacegroup":12},{"id":"mp-7188","created_at":"2022-09-04T14:40:58.351429Z","structure_string":"Al2 Os1\n1.0\n-1.591904 1.591904 4.167870\n1.591904 -1.591904 4.167870\n1.591904 1.591904 -4.167870\nAl Os\n2 1\ndirect\n0.338229 0.338229 0.000000 Al\n0.661771 0.661771 0.000000 Al\n0.000000 0.000000 0.000000 Os\n","nsites":3,"nelements":2,"elements":["Al","Os"],"chemical_system":"Al-Os","density":9.597862886389052,"density_atomic":0.0710089925313277,"volume":42.24817016910164,"volume_molar":8.480814253692104,"formula_full":"Al2 Os1","formula_reduced":"Al2Os","formula_anonymous":"AB2","energy":-20.40479948,"energy_per_atom":-6.801599826666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.40479948,"band_gap":0.2898999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.899000Z","spacegroup":139},{"id":"mp-1183180","created_at":"2022-09-04T14:42:16.087016Z","structure_string":"Al6 P2\n1.0\n2.807611 -4.862924 0.000000\n2.807611 4.862924 0.000000\n0.000000 0.000000 4.761516\nAl P\n6 2\ndirect\n0.831192 0.168808 0.750000 Al\n0.337617 0.168808 0.750000 Al\n0.831192 0.662383 0.750000 Al\n0.168808 0.831192 0.250000 Al\n0.662383 0.831192 0.250000 Al\n0.168808 0.337617 0.250000 Al\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n","nsites":8,"nelements":2,"elements":["Al","P"],"chemical_system":"Al-P","density":2.858714855777335,"density_atomic":0.06152906644486246,"volume":130.01985016575824,"volume_molar":9.787472991153818,"formula_full":"Al6 P2","formula_reduced":"Al3P","formula_anonymous":"AB3","energy":-32.25853162,"energy_per_atom":-4.0323164525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.25853162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.46e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.142000Z","spacegroup":194}]}