{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=106","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=104","results":[{"id":"mp-1228138","created_at":"2022-09-04T14:40:05.388487Z","structure_string":"Al5 O8\n1.0\n0.000000 3.994806 3.994806\n3.994806 0.000000 3.994806\n3.994806 3.994806 0.000000\nAl O\n5 8\ndirect\n0.615726 0.128091 0.128091 Al\n0.128091 0.615726 0.128091 Al\n0.128091 0.128091 0.615726 Al\n0.128091 0.128091 0.128091 Al\n0.750000 0.750000 0.750000 Al\n0.350777 0.883074 0.883074 O\n0.883074 0.350777 0.883074 O\n0.883074 0.883074 0.350777 O\n0.883074 0.883074 0.883074 O\n0.914965 0.361678 0.361678 O\n0.361678 0.914965 0.361678 O\n0.361678 0.361678 0.914965 O\n0.361678 0.361678 0.361678 O\n","nsites":13,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.4239497825223313,"density_atomic":0.10195916641526072,"volume":127.50202318302033,"volume_molar":5.906424083022551,"formula_full":"Al5 O8","formula_reduced":"Al5O8","formula_anonymous":"A5B8","energy":-99.3059527,"energy_per_atom":-7.638919438461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.8099527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.999822,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.005000Z","spacegroup":216},{"id":"mp-1244947","created_at":"2022-09-04T14:46:07.147874Z","structure_string":"Al40 O60\n1.0\n10.547323 -0.073147 -0.127208\n-0.078046 10.399932 0.365242\n-0.067828 0.301010 9.895512\nAl O\n40 60\ndirect\n0.511020 0.229562 0.776274 Al\n0.770295 0.103852 0.385393 Al\n0.218443 0.260632 0.654169 Al\n0.166171 0.428400 0.364153 Al\n0.769287 0.304799 0.156333 Al\n0.376306 0.894671 0.476452 Al\n0.114466 0.958090 0.671379 Al\n0.988091 0.258933 0.475688 Al\n0.487815 0.338141 0.046757 Al\n0.699304 0.444170 0.865060 Al\n0.445701 0.436545 0.575724 Al\n0.232301 0.754486 0.902439 Al\n0.585004 0.983728 0.628571 Al\n0.907003 0.843025 0.452266 Al\n0.558043 0.038049 0.952429 Al\n0.710980 0.716660 0.867531 Al\n0.236027 0.218416 0.152347 Al\n0.651104 0.934154 0.195549 Al\n0.239769 0.087434 0.392858 Al\n0.331001 0.941898 0.135519 Al\n0.844573 0.135599 0.986880 Al\n0.450968 0.606866 0.879862 Al\n0.889041 0.817465 0.061759 Al\n0.116671 0.740822 0.221553 Al\n0.106966 0.026131 0.972413 Al\n0.501380 0.169501 0.378788 Al\n0.072331 0.514972 0.786672 Al\n0.612787 0.674711 0.158356 Al\n0.994014 0.214198 0.774931 Al\n0.845927 0.925819 0.756273 Al\n0.928591 0.537810 0.051249 Al\n0.573802 0.457566 0.322047 Al\n0.362513 0.608311 0.362244 Al\n0.309341 0.674768 0.661242 Al\n0.799304 0.585021 0.625172 Al\n0.614465 0.726125 0.455312 Al\n0.219883 0.477093 0.070656 Al\n0.733148 0.291600 0.569660 Al\n0.971202 0.044690 0.251449 Al\n0.841833 0.461100 0.353101 Al\n0.983807 0.957276 0.089630 O\n0.127970 0.107981 0.254558 O\n0.508203 0.201092 0.955545 O\n0.166471 0.247164 0.479233 O\n0.599124 0.338863 0.186209 O\n0.900918 0.264721 0.627695 O\n0.570192 0.697546 0.973629 O\n0.222193 0.964381 0.538767 O\n0.538072 0.455852 0.925312 O\n0.871867 0.078972 0.815682 O\n0.125423 0.122111 0.715011 O\n0.005150 0.430104 0.419072 O\n0.945885 0.106198 0.420673 O\n0.255257 0.076703 0.043375 O\n0.739300 0.796238 0.127199 O\n0.710122 0.027311 0.026025 O\n0.221596 0.815495 0.087635 O\n0.783591 0.565494 0.966014 O\n0.984571 0.684639 0.121625 O\n0.371802 0.769306 0.794791 O\n0.320115 0.941883 0.310769 O\n0.920994 0.538973 0.729812 O\n0.464018 0.562759 0.221941 O\n0.772155 0.302208 0.967652 O\n0.956724 0.900561 0.620205 O\n0.321886 0.342028 0.044358 O\n0.137039 0.902407 0.849027 O\n0.071394 0.497826 0.970212 O\n0.525715 0.572619 0.467604 O\n0.161056 0.658891 0.746088 O\n0.571949 0.789166 0.289572 O\n0.306298 0.463831 0.461977 O\n0.785598 0.723958 0.504306 O\n0.159482 0.365250 0.204422 O\n0.814494 0.942937 0.328439 O\n0.858384 0.158615 0.170981 O\n0.117082 0.359224 0.740646 O\n0.784580 0.285397 0.375371 O\n0.538516 0.327495 0.453225 O\n0.036762 0.818889 0.348594 O\n0.618675 0.081073 0.292764 O\n0.696081 0.109289 0.552267 O\n0.205274 0.597560 0.267660 O\n0.765781 0.463370 0.516821 O\n0.381829 0.289491 0.676505 O\n0.444514 0.059682 0.510688 O\n0.641709 0.329749 0.719601 O\n0.489340 0.941492 0.083576 O\n0.707716 0.559824 0.276339 O\n0.688667 0.873949 0.738624 O\n0.676224 0.598011 0.742293 O\n0.866975 0.801323 0.887319 O\n0.318387 0.725773 0.485934 O\n0.407136 0.543011 0.708403 O\n0.353631 0.193748 0.291147 O\n0.885136 0.427605 0.183057 O\n0.528335 0.058903 0.773619 O\n0.024127 0.180895 0.956078 O\n0.303449 0.602120 0.977389 O\n0.532647 0.842948 0.541704 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.1233754891418433,"density_atomic":0.09223799154433387,"volume":1084.151967380332,"volume_molar":6.528915752795289,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-772.50083437,"energy_per_atom":-7.7250083437,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-731.28083437,"band_gap":4.084,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0090325,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.640000Z","spacegroup":1},{"id":"mp-1245234","created_at":"2022-09-04T14:42:17.196169Z","structure_string":"Al40 O60\n1.0\n10.018853 0.069461 0.339835\n0.052808 10.024455 -0.101633\n0.353496 -0.075529 10.966769\nAl O\n40 60\ndirect\n0.755998 0.486474 0.765109 Al\n0.788851 0.827765 0.324628 Al\n0.552263 0.703037 0.737969 Al\n0.058261 0.676625 0.146657 Al\n0.835939 0.488019 0.200414 Al\n0.226544 0.004776 0.465234 Al\n0.058691 0.575225 0.680371 Al\n0.953315 0.343827 0.556203 Al\n0.563552 0.359753 0.182652 Al\n0.696014 0.244468 0.923683 Al\n0.467217 0.484398 0.505207 Al\n0.242640 0.259309 0.630224 Al\n0.680054 0.300839 0.604417 Al\n0.726165 0.806800 0.557433 Al\n0.559463 0.043652 0.039576 Al\n0.072561 0.889465 0.679086 Al\n0.327865 0.152493 0.225587 Al\n0.778366 0.915419 0.828124 Al\n0.370219 0.455397 0.736864 Al\n0.484826 0.905189 0.302831 Al\n0.551436 0.115463 0.758535 Al\n0.204524 0.500963 0.919808 Al\n0.938767 0.645812 0.934514 Al\n0.076349 0.908937 0.275770 Al\n0.287075 0.675192 0.317598 Al\n0.498427 0.190209 0.449009 Al\n0.993017 0.260944 0.003708 Al\n0.538851 0.532494 0.984357 Al\n0.113559 0.952524 0.983156 Al\n0.907065 0.076762 0.455675 Al\n0.846740 0.054438 0.145336 Al\n0.538783 0.635787 0.239672 Al\n0.424985 0.899798 0.584408 Al\n0.320337 0.213821 0.931492 Al\n0.308009 0.899339 0.808887 Al\n0.714769 0.792932 0.045862 Al\n0.288071 0.413976 0.176075 Al\n0.901656 0.158866 0.741338 Al\n0.022772 0.337931 0.289539 Al\n0.989384 0.643971 0.435383 Al\n0.952733 0.765220 0.272072 O\n0.192409 0.304338 0.270426 O\n0.722723 0.090803 0.807509 O\n0.832937 0.186869 0.594804 O\n0.557573 0.041167 0.381767 O\n0.801886 0.436102 0.611213 O\n0.196913 0.524109 0.761390 O\n0.247124 0.922921 0.644638 O\n0.634154 0.380482 0.023329 O\n0.028513 0.732654 0.625968 O\n0.261402 0.042371 0.929387 O\n0.061492 0.256047 0.662952 O\n0.956073 0.252336 0.414191 O\n0.607577 0.661941 0.079778 O\n0.399687 0.749303 0.814604 O\n0.787824 0.941285 0.463589 O\n0.447674 0.019156 0.165765 O\n0.924301 0.326558 0.150933 O\n0.857253 0.800644 0.933537 O\n0.129831 0.856892 0.844533 O\n0.209286 0.031326 0.300335 O\n0.882718 0.264746 0.883700 O\n0.401876 0.763446 0.225909 O\n0.938290 0.986783 0.753141 O\n0.817715 0.692041 0.462078 O\n0.507282 0.158878 0.920602 O\n0.920762 0.546434 0.802018 O\n0.148631 0.336607 0.964697 O\n0.141225 0.748021 0.386373 O\n0.331179 0.269844 0.771886 O\n0.708869 0.141702 0.074638 O\n0.325100 0.405696 0.579076 O\n0.445424 0.492233 0.147891 O\n0.957424 0.505378 0.312502 O\n0.935293 0.036723 0.283740 O\n0.991299 0.082597 0.034798 O\n0.113928 0.853369 0.116730 O\n0.417047 0.574453 0.379791 O\n0.457961 0.263328 0.288602 O\n0.052801 0.995003 0.513251 O\n0.667980 0.479986 0.252114 O\n0.562414 0.168786 0.608275 O\n0.197160 0.572025 0.200131 O\n0.587046 0.353388 0.474391 O\n0.549513 0.775772 0.577468 O\n0.660902 0.332082 0.778376 O\n0.508165 0.540416 0.658548 O\n0.767131 0.899413 0.164649 O\n0.639950 0.593837 0.848556 O\n0.621469 0.773044 0.315164 O\n0.454925 0.978512 0.730609 O\n0.721820 0.801215 0.719108 O\n0.044707 0.497513 0.533731 O\n0.384460 0.483308 0.908944 O\n0.314297 0.152819 0.509711 O\n0.883069 0.608375 0.091000 O\n0.631790 0.908043 0.953867 O\n0.101937 0.625557 0.985564 O\n0.339918 0.258336 0.088304 O\n0.363173 0.888322 0.437539 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.078078848022886,"density_atomic":0.09090031337690191,"volume":1100.106218395176,"volume_molar":6.624994498127052,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-768.43906137,"energy_per_atom":-7.6843906137,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-727.21906137,"band_gap":3.1107,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028619,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.689000Z","spacegroup":1},{"id":"mp-1228448","created_at":"2022-09-04T14:42:06.893307Z","structure_string":"Al2 O3\n1.0\n-1.508747 -2.613200 0.000129\n-1.508747 2.613200 -0.000129\n0.000000 0.000184 -7.574636\nAl O\n2 3\ndirect\n0.000010 0.999990 0.722049 Al\n0.999990 0.000010 0.277951 Al\n0.666683 0.333317 0.800546 O\n0.333317 0.666683 0.199454 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":2.8346766909140633,"density_atomic":0.08371228036987954,"volume":59.72839322865999,"volume_molar":7.193855827832427,"formula_full":"Al2 O3","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-38.25368365,"energy_per_atom":-7.65073673,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.19268365,"band_gap":2.286,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003236,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.740000Z","spacegroup":164},{"id":"mp-1244954","created_at":"2022-09-04T14:43:06.089827Z","structure_string":"Al40 O60\n1.0\n10.420585 -0.013542 0.218475\n-0.012618 10.236260 0.285777\n0.218064 0.286767 10.517260\nAl O\n40 60\ndirect\n0.940548 0.118540 0.595352 Al\n0.739646 0.692826 0.424307 Al\n0.385837 0.288454 0.468334 Al\n0.136461 0.459480 0.820860 Al\n0.590983 0.646581 0.743462 Al\n0.069358 0.341474 0.057185 Al\n0.418856 0.976631 0.827894 Al\n0.153984 0.756587 0.264523 Al\n0.036004 0.856066 0.739097 Al\n0.037355 0.956000 0.140432 Al\n0.869443 0.330565 0.780974 Al\n0.180026 0.471781 0.338927 Al\n0.059012 0.650825 0.066823 Al\n0.358052 0.576601 0.723904 Al\n0.990764 0.186372 0.313165 Al\n0.591292 0.366738 0.675699 Al\n0.218700 0.739686 0.555372 Al\n0.747486 0.085629 0.134779 Al\n0.676106 0.456608 0.956625 Al\n0.379370 0.385497 0.995100 Al\n0.419226 0.663821 0.333272 Al\n0.975331 0.890067 0.452755 Al\n0.253267 0.194053 0.225959 Al\n0.503568 0.823403 0.542770 Al\n0.762242 0.666858 0.126859 Al\n0.994140 0.596428 0.607206 Al\n0.764485 0.904411 0.650990 Al\n0.259965 0.038809 0.638460 Al\n0.855224 0.025720 0.897264 Al\n0.522413 0.091450 0.592688 Al\n0.720156 0.012418 0.414859 Al\n0.505162 0.169991 0.189026 Al\n0.110747 0.129168 0.822226 Al\n0.451207 0.921372 0.137550 Al\n0.582005 0.188250 0.907925 Al\n0.828053 0.412312 0.500530 Al\n0.108832 0.332184 0.552149 Al\n0.493851 0.696903 0.004090 Al\n0.814808 0.722302 0.881124 Al\n0.773374 0.366529 0.211060 Al\n0.090716 0.275115 0.902255 O\n0.714281 0.103489 0.963304 O\n0.238752 0.332776 0.102955 O\n0.833139 0.586454 0.532352 O\n0.661492 0.739562 0.013994 O\n0.951991 0.702947 0.758700 O\n0.730470 0.500780 0.111221 O\n0.148530 0.289902 0.345733 O\n0.273966 0.762909 0.378988 O\n0.732485 0.067847 0.579074 O\n0.272791 0.366195 0.566537 O\n0.431316 0.935437 0.663669 O\n0.717005 0.590392 0.833934 O\n0.113943 0.156559 0.646825 O\n0.008439 0.062090 0.441572 O\n0.030886 0.972331 0.862458 O\n0.461274 0.227748 0.025472 O\n0.183598 0.603710 0.700283 O\n0.029769 0.868223 0.293090 O\n0.589625 0.350166 0.845818 O\n0.356619 0.120460 0.524719 O\n0.009157 0.425419 0.707970 O\n0.379205 0.704635 0.587938 O\n0.944275 0.317399 0.185195 O\n0.073334 0.494942 0.476346 O\n0.444805 0.891590 0.972399 O\n0.134953 0.810368 0.092344 O\n0.935258 0.938037 0.628897 O\n0.352348 0.050474 0.189200 O\n0.098220 0.112318 0.185109 O\n0.759462 0.364903 0.655155 O\n0.891715 0.001661 0.068627 O\n0.535487 0.270580 0.555464 O\n0.114468 0.592932 0.223189 O\n0.518262 0.519954 0.663720 O\n0.943186 0.278925 0.506429 O\n0.904372 0.700061 0.022895 O\n0.083608 0.510007 0.978385 O\n0.495916 0.511245 0.020704 O\n0.183493 0.882803 0.647869 O\n0.799349 0.858371 0.461467 O\n0.563248 0.710248 0.414567 O\n0.783105 0.889027 0.822096 O\n0.666470 0.243635 0.166016 O\n0.307435 0.442384 0.845673 O\n0.532670 0.104973 0.776595 O\n0.405985 0.252501 0.301137 O\n0.556763 0.977328 0.456319 O\n0.818373 0.094983 0.295136 O\n0.745560 0.403980 0.366548 O\n0.344949 0.510550 0.342130 O\n0.803351 0.699129 0.273879 O\n0.437726 0.744262 0.172815 O\n0.896624 0.157420 0.767555 O\n0.271364 0.064554 0.809633 O\n0.640859 0.782139 0.643313 O\n0.051467 0.742322 0.515071 O\n0.823815 0.367817 0.931856 O\n0.592717 0.007791 0.183566 O\n0.448514 0.683322 0.834711 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0220341349480297,"density_atomic":0.08924522842516482,"volume":1120.508085021637,"volume_molar":6.747857410718346,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-769.9384475400001,"energy_per_atom":-7.6993844754000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-728.71844754,"band_gap":3.5223999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0097661,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.758000Z","spacegroup":1},{"id":"mp-755066","created_at":"2022-09-04T14:46:30.326373Z","structure_string":"Al8 O12\n1.0\n11.553381 0.000000 0.000000\n0.000000 3.400059 0.000000\n0.000000 1.576751 4.963148\nAl O\n8 12\ndirect\n0.662467 0.386823 0.690683 Al\n0.944527 0.160924 0.713264 Al\n0.444527 0.839076 0.786736 Al\n0.162467 0.613177 0.809317 Al\n0.837533 0.386823 0.190683 Al\n0.555473 0.160924 0.213264 Al\n0.055473 0.839076 0.286736 Al\n0.337533 0.613177 0.309317 Al\n0.614656 0.944213 0.560959 O\n0.804326 0.338391 0.541028 O\n0.498219 0.326529 0.815899 O\n0.998219 0.673471 0.684101 O\n0.114656 0.055787 0.939041 O\n0.304326 0.661609 0.958972 O\n0.695674 0.338391 0.041028 O\n0.885344 0.944213 0.060959 O\n0.001781 0.326529 0.315899 O\n0.501781 0.673471 0.184101 O\n0.195674 0.661609 0.458972 O\n0.385344 0.055787 0.439041 O\n","nsites":20,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.4736941803183696,"density_atomic":0.1025834311454625,"volume":194.96325845876763,"volume_molar":5.870480927334796,"formula_full":"Al8 O12","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-156.09631451,"energy_per_atom":-7.804815725500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.85231451,"band_gap":4.176499999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.282000Z","spacegroup":14},{"id":"mp-1229215","created_at":"2022-09-04T14:39:34.995508Z","structure_string":"Al22 O36\n1.0\n22.860096 0.000000 0.000000\n0.000000 5.651388 0.000000\n0.000000 2.820728 4.910084\nAl O\n22 36\ndirect\n0.524661 0.333297 0.333661 Al\n0.475339 0.666703 0.666339 Al\n0.024661 0.666703 0.666339 Al\n0.975339 0.333297 0.333661 Al\n0.606773 0.832649 0.333840 Al\n0.606866 0.832886 0.832484 Al\n0.606996 0.334723 0.832056 Al\n0.393227 0.167351 0.666160 Al\n0.393134 0.167114 0.167516 Al\n0.393004 0.665277 0.167944 Al\n0.106773 0.167351 0.666160 Al\n0.106866 0.167114 0.167516 Al\n0.106996 0.665277 0.167944 Al\n0.893227 0.832649 0.333840 Al\n0.893134 0.832886 0.832484 Al\n0.893004 0.334723 0.832056 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.675397 0.331956 0.331666 Al\n0.324603 0.668044 0.668334 Al\n0.175397 0.668044 0.668334 Al\n0.824603 0.331956 0.331666 Al\n0.640445 0.999999 0.000417 O\n0.359555 0.000001 0.999583 O\n0.140445 0.000001 0.999583 O\n0.859555 0.999999 0.000417 O\n0.549534 0.157815 0.684799 O\n0.549352 0.157283 0.157552 O\n0.549437 0.685087 0.157824 O\n0.450466 0.842185 0.315201 O\n0.450648 0.842717 0.842448 O\n0.450563 0.314913 0.842176 O\n0.049534 0.842185 0.315201 O\n0.049352 0.842717 0.842448 O\n0.049437 0.314913 0.842176 O\n0.950466 0.157815 0.684799 O\n0.950648 0.157283 0.157552 O\n0.950563 0.685087 0.157824 O\n0.555629 0.666385 0.666239 O\n0.444371 0.333615 0.333761 O\n0.055629 0.333615 0.333761 O\n0.944371 0.666385 0.666239 O\n0.644453 0.501274 0.998037 O\n0.645172 0.501255 0.500852 O\n0.644473 0.996654 0.501887 O\n0.355547 0.498726 0.001963 O\n0.354828 0.498745 0.499148 O\n0.355527 0.003346 0.498113 O\n0.144453 0.498726 0.001963 O\n0.145172 0.498745 0.499148 O\n0.144473 0.003346 0.498113 O\n0.855547 0.501274 0.998037 O\n0.854828 0.501255 0.500852 O\n0.855527 0.996654 0.501887 O\n0.750000 0.709403 0.589451 O\n0.250000 0.290597 0.410549 O\n0.750000 0.318056 0.325406 O\n0.250000 0.681944 0.674594 O\n","nsites":58,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0616395232687426,"density_atomic":0.09143361623877765,"volume":634.3399986339136,"volume_molar":6.586353037020062,"formula_full":"Al22 O36","formula_reduced":"Al11O18","formula_anonymous":"A11B18","energy":-442.1652218,"energy_per_atom":-7.623538306896552,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-417.4332218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.469000Z","spacegroup":11},{"id":"mp-1182893","created_at":"2022-09-04T14:48:20.845119Z","structure_string":"Al10 O16\n1.0\n2.802596 -4.854239 0.000000\n2.802596 4.854239 0.000000\n0.000000 0.000000 8.971693\nAl O\n10 16\ndirect\n0.838393 0.161607 0.869132 Al\n0.838393 0.676786 0.869132 Al\n0.323214 0.161607 0.869132 Al\n0.161607 0.838393 0.369132 Al\n0.161607 0.323214 0.369132 Al\n0.676786 0.838393 0.369132 Al\n0.333333 0.666667 0.648246 Al\n0.666667 0.333333 0.148246 Al\n0.666667 0.333333 0.557066 Al\n0.333333 0.666667 0.057066 Al\n0.000000 0.000000 0.471032 O\n0.000000 0.000000 0.971032 O\n0.487386 0.512614 0.499628 O\n0.487386 0.974771 0.499628 O\n0.025229 0.512614 0.499628 O\n0.512614 0.487386 0.999628 O\n0.512614 0.025229 0.999628 O\n0.974771 0.487386 0.999628 O\n0.659809 0.829904 0.758455 O\n0.170096 0.829904 0.758455 O\n0.170096 0.340191 0.758455 O\n0.340191 0.170096 0.258455 O\n0.829904 0.170096 0.258455 O\n0.829904 0.659809 0.258455 O\n0.666667 0.333333 0.760062 O\n0.333333 0.666667 0.260062 O\n","nsites":26,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.576748514629643,"density_atomic":0.10650924230553663,"volume":244.1102709698692,"volume_molar":5.654101587470361,"formula_full":"Al10 O16","formula_reduced":"Al5O8","formula_anonymous":"A5B8","energy":-200.64213028,"energy_per_atom":-7.717005010769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.65013028,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0061308,"is_theoretical":false,"updated_at":"2021-11-28T01:39:10.417000Z","spacegroup":186},{"id":"mp-1245056","created_at":"2022-09-04T14:41:06.969802Z","structure_string":"Al40 O60\n1.0\n10.303012 0.143380 0.072359\n0.140115 10.476541 -0.094735\n0.073186 -0.092760 9.932202\nAl O\n40 60\ndirect\n0.001461 0.146718 0.576723 Al\n0.832428 0.660881 0.439000 Al\n0.248739 0.383730 0.129686 Al\n0.198588 0.471643 0.892918 Al\n0.557662 0.693786 0.522595 Al\n0.862576 0.287213 0.108069 Al\n0.356626 0.978090 0.824741 Al\n0.245106 0.669408 0.165279 Al\n0.050468 0.886167 0.799421 Al\n0.065149 0.868082 0.240874 Al\n0.934185 0.392024 0.758307 Al\n0.385620 0.832248 0.369240 Al\n0.952410 0.591145 0.154119 Al\n0.302648 0.514409 0.484847 Al\n0.793109 0.152919 0.345667 Al\n0.526673 0.301004 0.558004 Al\n0.298624 0.752055 0.679121 Al\n0.578231 0.013115 0.053644 Al\n0.491394 0.447847 0.821904 Al\n0.544816 0.298604 0.061960 Al\n0.477374 0.572965 0.206520 Al\n0.151858 0.929259 0.543122 Al\n0.151557 0.192615 0.328868 Al\n0.629403 0.886984 0.323945 Al\n0.742041 0.506908 0.010636 Al\n0.033574 0.605676 0.647839 Al\n0.735316 0.822249 0.763619 Al\n0.296704 0.189089 0.598486 Al\n0.986051 0.056664 0.073339 Al\n0.589130 0.024172 0.577588 Al\n0.880302 0.908168 0.520079 Al\n0.487414 0.147235 0.326670 Al\n0.117308 0.184822 0.875312 Al\n0.307126 0.010371 0.171652 Al\n0.598813 0.153618 0.807704 Al\n0.724944 0.521728 0.666424 Al\n0.022286 0.428867 0.405846 Al\n0.502824 0.712864 0.935093 Al\n0.799222 0.827331 0.031733 Al\n0.684238 0.431617 0.337138 Al\n0.977076 0.208546 0.991433 O\n0.681040 0.075961 0.932374 O\n0.448780 0.967549 0.281887 O\n0.914648 0.720947 0.581417 O\n0.644536 0.811769 0.920216 O\n0.127089 0.726271 0.730607 O\n0.708101 0.336293 0.044151 O\n0.134863 0.357869 0.263087 O\n0.252842 0.845534 0.226649 O\n0.738089 0.936665 0.635923 O\n0.342921 0.352580 0.550714 O\n0.263207 0.155410 0.767544 O\n0.662482 0.686766 0.676107 O\n0.004705 0.236570 0.732005 O\n0.879083 0.082666 0.475621 O\n0.094783 0.009032 0.922807 O\n0.422381 0.405743 0.131146 O\n0.337263 0.512231 0.809571 O\n0.033896 0.886645 0.413972 O\n0.508422 0.287551 0.883920 O\n0.179816 0.097078 0.500739 O\n0.061522 0.495213 0.791859 O\n0.401215 0.628567 0.575144 O\n0.814673 0.322666 0.320694 O\n0.130561 0.528432 0.510771 O\n0.671562 0.901557 0.149789 O\n0.195861 0.537215 0.059772 O\n0.005070 0.973352 0.648141 O\n0.073976 0.701600 0.191583 O\n0.121084 0.053571 0.203066 O\n0.894625 0.471882 0.599249 O\n0.940562 0.898276 0.116028 O\n0.444403 0.136092 0.512116 O\n0.320160 0.567700 0.307178 O\n0.576856 0.433535 0.663091 O\n0.037505 0.269412 0.457421 O\n0.819208 0.662271 0.066029 O\n0.913372 0.446110 0.079401 O\n0.579524 0.555164 0.927639 O\n0.234331 0.922994 0.711813 O\n0.778052 0.814636 0.389772 O\n0.642381 0.522814 0.198001 O\n0.885888 0.836833 0.857223 O\n0.560973 0.321546 0.384433 O\n0.203246 0.313333 0.967866 O\n0.499933 0.026682 0.743164 O\n0.316865 0.171324 0.263328 O\n0.648401 0.061993 0.385193 O\n0.860584 0.129807 0.184324 O\n0.688971 0.561575 0.467339 O\n0.517243 0.714824 0.331360 O\n0.923848 0.555396 0.331687 O\n0.409764 0.684331 0.087202 O\n0.643200 0.192166 0.640006 O\n0.395017 0.998376 0.008723 O\n0.531061 0.870383 0.501059 O\n0.271643 0.813583 0.497732 O\n0.792502 0.467354 0.827744 O\n0.548727 0.157604 0.155131 O\n0.398939 0.791142 0.820243 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.1595663692690295,"density_atomic":0.09330676284857131,"volume":1071.7336766070346,"volume_molar":6.4541310577598825,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-772.68811968,"energy_per_atom":-7.7268811968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-731.46811968,"band_gap":3.8619,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012715,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.077000Z","spacegroup":1},{"id":"mp-1182911","created_at":"2022-09-04T14:46:21.370751Z","structure_string":"Al8 O24\n1.0\n5.525405 0.000000 0.000000\n0.000000 7.949337 0.000000\n0.000000 0.000000 9.762878\nAl O\n8 24\ndirect\n0.977457 0.510118 0.196692 Al\n0.022543 0.489882 0.803308 Al\n0.522543 0.489882 0.696692 Al\n0.477457 0.510118 0.303308 Al\n0.977457 0.989882 0.696692 Al\n0.022543 0.010118 0.303308 Al\n0.522543 0.010118 0.196692 Al\n0.477457 0.989882 0.803308 Al\n0.564319 0.426018 0.494199 O\n0.435681 0.573982 0.505801 O\n0.935681 0.573982 0.994199 O\n0.064319 0.426018 0.005801 O\n0.183888 0.398442 0.309864 O\n0.816112 0.601558 0.690136 O\n0.316112 0.601558 0.809864 O\n0.683888 0.398442 0.190136 O\n0.234067 0.368022 0.700292 O\n0.765933 0.631978 0.299708 O\n0.265933 0.631978 0.200292 O\n0.734067 0.368022 0.799708 O\n0.064319 0.073982 0.505801 O\n0.935681 0.926018 0.494199 O\n0.435681 0.926018 0.005801 O\n0.564319 0.073982 0.994199 O\n0.183888 0.101558 0.809864 O\n0.816112 0.898442 0.190136 O\n0.316112 0.898442 0.309864 O\n0.683888 0.101558 0.690136 O\n0.265933 0.868022 0.700292 O\n0.734067 0.131978 0.299708 O\n0.234067 0.131978 0.200292 O\n0.765933 0.868022 0.799708 O\n","nsites":32,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":2.3227909176775707,"density_atomic":0.07462375371438235,"volume":428.81788180313146,"volume_molar":8.070005139448439,"formula_full":"Al8 O24","formula_reduced":"AlO3","formula_anonymous":"AB3","energy":-188.10789768,"energy_per_atom":-5.8783718025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.24389768,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.5710232,"is_theoretical":false,"updated_at":"2021-11-28T01:37:30.312000Z","spacegroup":61},{"id":"mp-1245173","created_at":"2022-09-04T14:41:08.867549Z","structure_string":"Al40 O60\n1.0\n9.871488 0.264343 -0.402367\n0.262328 9.971027 -0.103559\n-0.401943 -0.118546 11.316575\nAl O\n40 60\ndirect\n0.273819 0.620851 0.341159 Al\n0.610364 0.961417 0.960964 Al\n0.932204 0.680837 0.672251 Al\n0.171021 0.369120 0.922693 Al\n0.318878 0.933170 0.916451 Al\n0.846781 0.172902 0.613708 Al\n0.281901 0.249735 0.641914 Al\n0.857099 0.039868 0.080600 Al\n0.320820 0.887399 0.205350 Al\n0.012859 0.414956 0.556939 Al\n0.889724 0.533674 0.027191 Al\n0.670993 0.294028 0.962507 Al\n0.768828 0.309994 0.387424 Al\n0.486183 0.803332 0.653121 Al\n0.039461 0.924045 0.760410 Al\n0.915810 0.309562 0.153298 Al\n0.878676 0.409765 0.785298 Al\n0.978359 0.103914 0.339902 Al\n0.545970 0.001106 0.304138 Al\n0.397967 0.184700 0.060856 Al\n0.496815 0.272478 0.289134 Al\n0.868804 0.797967 0.939212 Al\n0.714361 0.800158 0.476584 Al\n0.027166 0.810976 0.460686 Al\n0.216815 0.696312 0.608887 Al\n0.275592 0.968293 0.482535 Al\n0.721112 0.984796 0.705168 Al\n0.415599 0.452844 0.074381 Al\n0.600171 0.573269 0.285080 Al\n0.665906 0.563439 0.805265 Al\n0.175349 0.674133 0.049736 Al\n0.574284 0.538267 0.515946 Al\n0.398849 0.699439 0.861811 Al\n0.216590 0.314667 0.378275 Al\n0.106505 0.071759 0.002282 Al\n0.991433 0.545111 0.316667 Al\n0.388357 0.452341 0.758546 Al\n0.817990 0.825219 0.238580 Al\n0.585891 0.738571 0.104846 Al\n0.541260 0.239330 0.534246 Al\n0.498378 0.858098 0.195879 O\n0.219960 0.219410 0.997002 O\n0.878968 0.782493 0.544610 O\n0.561155 0.626625 0.658914 O\n0.995651 0.427067 0.909661 O\n0.939412 0.313688 0.667621 O\n0.326561 0.092044 0.587753 O\n0.713013 0.376046 0.826101 O\n0.911994 0.977680 0.229060 O\n0.497497 0.588305 0.140042 O\n0.446757 0.051303 0.953024 O\n0.092493 0.969117 0.428944 O\n0.671163 0.145028 0.641040 O\n0.659383 0.374654 0.519177 O\n0.629979 0.877539 0.598826 O\n0.499379 0.541088 0.866096 O\n0.995117 0.682503 0.033350 O\n0.708299 0.119763 0.995791 O\n0.817075 0.561984 0.715158 O\n0.371053 0.338431 0.177868 O\n0.783893 0.388751 0.052232 O\n0.897926 0.029465 0.700236 O\n0.243629 0.722032 0.204281 O\n0.494691 0.318905 0.988935 O\n0.706140 0.907518 0.839132 O\n0.402118 0.853350 0.779581 O\n0.674386 0.637779 0.432374 O\n0.169479 0.481732 0.329079 O\n0.164981 0.323894 0.532742 O\n0.259497 0.760996 0.943437 O\n0.503656 0.123326 0.189560 O\n0.250513 0.507674 0.003915 O\n0.911377 0.443294 0.420477 O\n0.061331 0.568849 0.624421 O\n0.951746 0.781063 0.800956 O\n0.168862 0.689304 0.452218 O\n0.840909 0.226770 0.261534 O\n0.443600 0.574995 0.389279 O\n0.246063 0.976677 0.081632 O\n0.766189 0.637623 0.932452 O\n0.949506 0.724922 0.325306 O\n0.110426 0.204757 0.303568 O\n0.160321 0.011183 0.851986 O\n0.441547 0.335988 0.648504 O\n0.882573 0.174073 0.467368 O\n0.363739 0.967842 0.348314 O\n0.702898 0.899626 0.350347 O\n0.630987 0.395010 0.291534 O\n0.307485 0.611650 0.726870 O\n0.349900 0.811617 0.548353 O\n0.105976 0.835405 0.637306 O\n0.962175 0.950097 0.978790 O\n0.970065 0.477068 0.171426 O\n0.520413 0.792449 0.965906 O\n0.249676 0.344135 0.783042 O\n0.976509 0.174348 0.067494 O\n0.721202 0.671631 0.204653 O\n0.599253 0.151401 0.398526 O\n0.393374 0.292833 0.415588 O\n0.744582 0.875321 0.074244 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.046847536341567,"density_atomic":0.08997800561313975,"volume":1111.3827131260255,"volume_molar":6.692903136675626,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-773.96072967,"energy_per_atom":-7.7396072967,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-732.74072967,"band_gap":3.8149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030954,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.870000Z","spacegroup":1},{"id":"mp-1244997","created_at":"2022-09-04T14:39:24.566636Z","structure_string":"Al40 O60\n1.0\n10.407909 -0.090054 -0.097592\n-0.088275 10.310454 -0.298999\n-0.099726 -0.312462 10.477937\nAl O\n40 60\ndirect\n0.254051 0.439152 0.284411 Al\n0.227290 0.035629 0.403343 Al\n0.492443 0.723548 0.638067 Al\n0.547437 0.865458 0.916231 Al\n0.256089 0.897668 0.603693 Al\n0.067262 0.287149 0.812391 Al\n0.628973 0.138571 0.761222 Al\n0.236002 0.941328 0.931796 Al\n0.463741 0.594484 0.857301 Al\n0.755444 0.613731 0.511078 Al\n0.496485 0.924853 0.427827 Al\n0.758616 0.327868 0.299665 Al\n0.816034 0.862312 0.396801 Al\n0.343709 0.702538 0.235598 Al\n0.149273 0.656860 0.475982 Al\n0.218252 0.155330 0.147490 Al\n0.797474 0.385890 0.054360 Al\n0.662114 0.395661 0.569854 Al\n0.687094 0.102052 0.506146 Al\n0.489641 0.247675 0.393149 Al\n0.965373 0.069518 0.332098 Al\n0.965719 0.080811 0.014662 Al\n0.706398 0.911080 0.141389 Al\n0.406205 0.967095 0.143379 Al\n0.110233 0.336841 0.562749 Al\n0.035023 0.290751 0.261465 Al\n0.910910 0.064177 0.643387 Al\n0.497539 0.438377 0.137569 Al\n0.477484 0.542285 0.416147 Al\n0.639090 0.664760 0.145326 Al\n0.246850 0.456740 0.002123 Al\n0.740480 0.565735 0.818013 Al\n0.213237 0.609730 0.731288 Al\n0.927374 0.578765 0.214108 Al\n0.301248 0.140730 0.714815 Al\n0.982674 0.587011 0.928579 Al\n0.503247 0.328851 0.871495 Al\n0.071136 0.785837 0.209829 Al\n0.691203 0.119566 0.013890 Al\n0.984916 0.820105 0.824644 Al\n0.958426 0.899613 0.282662 O\n0.303430 0.070223 0.033473 O\n0.742189 0.042801 0.671042 O\n0.583822 0.653168 0.510387 O\n0.395984 0.354988 0.002946 O\n0.265348 0.068512 0.565020 O\n0.209817 0.288021 0.708668 O\n0.754117 0.526832 0.652345 O\n0.818002 0.991963 0.052999 O\n0.561945 0.735103 0.797282 O\n0.455904 0.197906 0.760323 O\n0.103626 0.148750 0.401564 O\n0.984140 0.935686 0.710518 O\n0.501602 0.398223 0.501350 O\n0.580940 0.034859 0.133904 O\n0.731655 0.792176 0.252543 O\n0.662901 0.935409 0.439989 O\n0.771697 0.563137 0.144951 O\n0.089672 0.680901 0.833360 O\n0.413714 0.360577 0.281663 O\n0.840996 0.468856 0.914590 O\n0.272231 0.976751 0.772267 O\n0.299968 0.559973 0.884025 O\n0.843035 0.217863 0.031863 O\n0.201198 0.868807 0.430173 O\n0.186951 0.743746 0.624092 O\n0.429665 0.859849 0.569371 O\n0.181989 0.323234 0.160901 O\n0.089356 0.433525 0.920215 O\n0.383637 0.607474 0.683347 O\n0.656920 0.220170 0.377994 O\n0.575485 0.470749 0.805038 O\n0.307879 0.598855 0.391024 O\n0.066824 0.159611 0.908133 O\n0.634696 0.792933 0.036027 O\n0.230214 0.811755 0.172649 O\n0.532499 0.569320 0.026473 O\n0.126211 0.511483 0.600501 O\n0.051314 0.114024 0.168415 O\n0.283512 0.546088 0.153810 O\n0.390323 0.859583 0.982433 O\n0.888058 0.220424 0.316053 O\n0.004042 0.661844 0.091165 O\n0.645594 0.250498 0.909626 O\n0.051030 0.649337 0.326871 O\n0.448732 0.850062 0.272921 O\n0.747344 0.458433 0.422301 O\n0.484884 0.096163 0.465710 O\n0.927671 0.408046 0.196021 O\n0.860344 0.735301 0.487472 O\n0.131185 0.383466 0.390853 O\n0.854661 0.700184 0.853192 O\n0.517050 0.592411 0.257805 O\n0.873591 0.033606 0.472291 O\n0.653833 0.348893 0.156621 O\n0.063845 0.916281 0.961971 O\n0.979826 0.241794 0.656221 O\n0.668863 0.245158 0.627954 O\n0.318465 0.083212 0.268116 O\n0.612441 0.014578 0.878972 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.014713997579264,"density_atomic":0.08902905372216453,"volume":1123.2288317033315,"volume_molar":6.764242130207813,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-762.26904228,"energy_per_atom":-7.6226904228,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-721.04904228,"band_gap":3.4465,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0076546,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.785000Z","spacegroup":1}]}