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{
"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",
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"elements": [
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"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
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"spacegroup": 1
},
{
"id": "mp-782035",
"created_at": "2022-09-04T14:45:28.056539Z",
"structure_string": "Al12 O18\n1.0\n2.913709 0.000000 0.000000\n0.000000 7.114438 0.000000\n0.000000 3.085046 13.494180\nAl O\n12 18\ndirect\n0.250000 0.826098 0.027844 Al\n0.250000 0.438270 0.112743 Al\n0.750000 0.802379 0.212733 Al\n0.750000 0.186830 0.297612 Al\n0.250000 0.466660 0.412266 Al\n0.250000 0.848664 0.397570 Al\n0.750000 0.151336 0.602430 Al\n0.750000 0.533340 0.587734 Al\n0.250000 0.813170 0.702388 Al\n0.250000 0.197621 0.787267 Al\n0.750000 0.561730 0.887257 Al\n0.750000 0.173902 0.972156 Al\n0.750000 0.657900 0.002084 O\n0.750000 0.314697 0.167777 O\n0.750000 0.958971 0.077650 O\n0.250000 0.667046 0.160302 O\n0.250000 0.305129 0.329845 O\n0.250000 0.945418 0.256798 O\n0.750000 0.642237 0.345008 O\n0.750000 0.986738 0.406773 O\n0.750000 0.353904 0.495616 O\n0.250000 0.646096 0.504384 O\n0.250000 0.013262 0.593227 O\n0.250000 0.357763 0.654992 O\n0.750000 0.054582 0.743202 O\n0.750000 0.694871 0.670155 O\n0.750000 0.332954 0.839698 O\n0.250000 0.041029 0.922350 O\n0.250000 0.685303 0.832223 O\n0.250000 0.342100 0.997916 O\n",
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],
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"volume": 279.7262822924992,
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"formula_full": "Al12 O18",
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"updated_at": "2021-11-28T01:36:55.880000Z",
"spacegroup": 11
},
{
"id": "mp-1245250",
"created_at": "2022-09-04T14:45:14.986830Z",
"structure_string": "Al38 O21\n1.0\n5.640803 -0.014272 -0.065121\n2.806829 4.891684 -0.035563\n-0.573712 -0.020220 50.144233\nAl O\n38 21\nSelective dynamics\ndirect\n0.490773 0.501910 0.001714 T T T Al\n0.989992 0.501816 0.002039 T T T Al\n0.490312 0.001511 0.001851 T T T Al\n0.161610 0.167576 0.049053 T T T Al\n0.162698 0.668634 0.048996 T T T Al\n0.661761 0.667431 0.049028 T T T Al\n0.662911 0.168755 0.048988 T T T Al\n0.333325 0.333350 0.095239 F F F Al\n0.333325 0.833350 0.095239 F F F Al\n0.833325 0.833350 0.095239 F F F Al\n0.833325 0.333350 0.095239 F F F Al\n0.999992 0.000017 0.142858 F F F Al\n0.999992 0.500017 0.142858 F F F Al\n0.499992 0.500017 0.142858 F F F Al\n0.499992 0.000017 0.142858 F F F Al\n0.178572 0.166584 0.188742 T T T Al\n0.672705 0.162842 0.188769 T T T Al\n0.678069 0.669208 0.189059 T T T Al\n0.173424 0.664013 0.189252 T T T Al\n0.851848 0.329338 0.232871 T T T Al\n0.353123 0.834992 0.233555 T T T Al\n0.358664 0.335540 0.239418 T T T Al\n0.856496 0.841133 0.241267 T T T Al\n0.954698 0.427265 0.281751 T T T Al\n0.507112 0.951964 0.293164 T T T Al\n0.435866 0.441392 0.309393 T T T Al\n0.977294 0.983604 0.324354 T T T Al\n0.255494 0.706525 0.368468 T T T Al\n0.789332 0.290435 0.381692 T T T Al\n0.652021 0.837227 0.384975 T T T Al\n0.209335 0.408959 0.417456 T T T Al\n0.205622 0.953357 0.428748 T T T Al\n0.056282 0.713805 0.475425 T T T Al\n0.499746 0.074781 0.478407 T T T Al\n0.701296 0.425843 0.493021 T T T Al\n0.216900 0.099426 0.533434 T T T Al\n0.752223 0.158633 0.547291 T T T Al\n0.990292 0.002045 0.001770 T T T Al\n0.335467 0.330330 0.279509 T T T O\n0.851591 0.801522 0.278264 T T T O\n0.630230 0.589305 0.301141 T T T O\n0.135177 0.099559 0.302443 T T T O\n0.625156 0.100652 0.321612 T T T O\n0.184851 0.631002 0.332958 T T T O\n0.026094 0.057950 0.359028 T T T O\n0.620172 0.595511 0.361418 T T T O\n0.018163 0.658008 0.389036 T T T O\n0.528757 0.200867 0.390673 T T T O\n0.415570 0.773040 0.401991 T T T O\n0.973094 0.267475 0.411660 T T T O\n0.144368 0.695043 0.440046 T T T O\n0.359130 0.131837 0.444009 T T T O\n0.828988 0.073364 0.479186 T T T O\n0.779946 0.646761 0.475298 T T T O\n0.369129 0.453572 0.488021 T T T O\n0.322934 0.986804 0.500506 T T T O\n0.826997 0.369315 0.526330 T T T O\n0.088493 0.934476 0.553595 T T T O\n0.446311 0.179090 0.548771 T T T O\n",
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"elements": [
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},
{
"id": "mp-1245237",
"created_at": "2022-09-04T14:45:27.985959Z",
"structure_string": "Al40 O60\n1.0\n10.145619 0.068973 0.009387\n0.060941 10.994692 0.105495\n0.015131 0.103257 10.435608\nAl O\n40 60\ndirect\n0.201457 0.428136 0.358312 Al\n0.742224 0.106952 0.743653 Al\n0.103459 0.687084 0.413231 Al\n0.324109 0.673429 0.872972 Al\n0.606985 0.962367 0.546868 Al\n0.030244 0.188658 0.714370 Al\n0.192360 0.135287 0.442668 Al\n0.345926 0.037688 0.667721 Al\n0.137117 0.225440 0.199858 Al\n0.879225 0.481414 0.697742 Al\n0.770106 0.659927 0.905534 Al\n0.658996 0.131994 0.993398 Al\n0.724261 0.120498 0.404337 Al\n0.568191 0.871359 0.817585 Al\n0.058917 0.620317 0.929028 Al\n0.921670 0.279084 0.923664 Al\n0.287916 0.404927 0.876150 Al\n0.177026 0.920673 0.215495 Al\n0.416906 0.943767 0.077732 Al\n0.147210 0.790649 0.662628 Al\n0.430714 0.274212 0.455865 Al\n0.253313 0.511025 0.099193 Al\n0.569228 0.665328 0.477132 Al\n0.909854 0.044913 0.206458 Al\n0.318850 0.817721 0.471819 Al\n0.927407 0.994303 0.554762 Al\n0.704523 0.887578 0.063793 Al\n0.567957 0.438961 0.012766 Al\n0.652702 0.434153 0.567578 Al\n0.563432 0.605472 0.763192 Al\n0.489626 0.531371 0.279901 Al\n0.832726 0.750543 0.607874 Al\n0.563337 0.852595 0.306528 Al\n0.890972 0.556471 0.437266 Al\n0.204824 0.098680 0.955638 Al\n0.710632 0.397067 0.282839 Al\n0.436270 0.230782 0.121973 Al\n0.962969 0.472988 0.147344 Al\n0.900555 0.759652 0.186627 Al\n0.381780 0.430305 0.640592 Al\n0.261682 0.207886 0.073589 O\n0.454944 0.745315 0.795356 O\n0.942734 0.615009 0.605931 O\n0.701825 0.742676 0.764699 O\n0.882908 0.391015 0.032200 O\n0.826417 0.423697 0.531188 O\n0.152868 0.272867 0.363439 O\n0.955858 0.338114 0.753538 O\n0.942305 0.709108 0.348254 O\n0.517158 0.682032 0.316890 O\n0.585008 0.280077 0.026844 O\n0.083771 0.113658 0.570461 O\n0.903979 0.074057 0.703014 O\n0.385551 0.527147 0.798585 O\n0.766586 0.900374 0.576783 O\n0.386031 0.412566 0.023567 O\n0.158617 0.720050 0.818313 O\n0.495968 0.084820 0.064031 O\n0.697613 0.490457 0.723091 O\n0.125367 0.409075 0.178997 O\n0.435058 0.261858 0.287599 O\n0.995852 0.845235 0.601773 O\n0.201826 0.806251 0.340433 O\n0.770948 0.205782 0.877509 O\n0.667966 0.005636 0.860365 O\n0.498718 0.822273 0.487560 O\n0.737198 0.664549 0.493671 O\n0.078741 0.528455 0.408894 O\n0.259073 0.910322 0.601793 O\n0.543387 0.857892 0.995903 O\n0.608900 0.000530 0.379618 O\n0.320393 0.515335 0.259066 O\n0.853222 0.486621 0.279529 O\n0.818087 0.773930 0.012604 O\n0.000607 0.630477 0.097229 O\n0.598253 0.463062 0.401471 O\n0.998012 0.900781 0.180815 O\n0.502358 0.571158 0.598364 O\n0.062527 0.173418 0.885852 O\n0.718183 0.822957 0.222931 O\n0.288354 0.658422 0.034925 O\n0.992076 0.168378 0.137603 O\n0.351342 0.136182 0.522180 O\n0.723708 0.243891 0.305720 O\n0.681581 0.120547 0.576609 O\n0.239837 0.959306 0.054332 O\n0.412430 0.897330 0.236672 O\n0.884697 0.047554 0.386122 O\n0.153456 0.483071 0.942312 O\n0.178036 0.060344 0.296059 O\n0.222964 0.693852 0.545640 O\n0.294412 0.063508 0.820910 O\n0.604134 0.475566 0.169084 O\n0.504664 0.966517 0.684088 O\n0.280034 0.328274 0.735767 O\n0.911554 0.585701 0.847126 O\n0.620627 0.573723 0.932376 O\n0.523496 0.326643 0.596471 O\n0.320826 0.404822 0.484005 O\n0.763591 0.037100 0.101598 O\n",
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{
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"structure_string": "Al12 O18\n1.0\n5.223179 0.000000 0.000000\n-2.321631 4.815011 0.000000\n-2.245533 -1.594070 19.817291\nAl O\n12 18\ndirect\n0.749786 0.922459 0.976341 Al\n0.963085 0.024694 0.141416 Al\n0.512110 0.258753 0.523999 Al\n0.550373 0.160140 0.223263 Al\n0.403511 0.302992 0.367978 Al\n0.937966 0.256253 0.457130 Al\n0.152880 0.868617 0.787818 Al\n0.507914 0.761676 0.559413 Al\n0.025832 0.859086 0.622166 Al\n0.586097 0.901924 0.721764 Al\n0.184218 0.378065 0.820884 Al\n0.714183 0.403019 0.891121 Al\n0.246070 0.963371 0.170323 O\n0.803680 0.916797 0.061266 O\n0.859694 0.190054 0.198576 O\n0.536610 0.326467 0.294880 O\n0.652822 0.369114 0.439143 O\n0.059908 0.192399 0.384397 O\n0.262811 0.435838 0.514128 O\n0.706629 0.024033 0.508558 O\n0.748212 0.551518 0.578187 O\n0.277390 0.953607 0.563499 O\n0.257375 0.949848 0.700049 O\n0.720534 0.918213 0.644049 O\n0.913194 0.053227 0.777650 O\n0.376016 0.649657 0.772042 O\n0.388782 0.179247 0.839571 O\n0.866305 0.228120 0.940024 O\n0.981169 0.573056 0.837380 O\n0.586845 0.621755 0.924984 O\n",
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"elements": [
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"formula_full": "Al12 O18",
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{
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{
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{
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]
}