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{
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{
"id": "mp-1359927",
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"structure_string": "Al16 O24\n1.0\n-5.592100 0.000000 0.000000\n2.524008 5.312732 0.000000\n-0.805915 -2.831077 -13.883414\nAl O\n16 24\ndirect\n0.919394 0.122324 0.092536 Al\n0.967244 0.754001 0.267378 Al\n0.631966 0.480218 0.427100 Al\n0.409715 0.139406 0.121249 Al\n0.749870 0.229763 0.284455 Al\n0.269227 0.321051 0.261675 Al\n0.382708 0.927164 0.442227 Al\n0.128846 0.769889 0.817990 Al\n0.295734 0.152045 0.619716 Al\n0.109139 0.406500 0.448840 Al\n0.220535 0.643957 0.655101 Al\n0.681744 0.691508 0.607551 Al\n0.049548 0.211936 0.849367 Al\n0.614709 0.639621 0.842143 Al\n0.000314 0.649141 0.051759 Al\n0.519451 0.039777 0.939059 Al\n0.391456 0.047504 0.250742 O\n0.078317 0.503696 0.262965 O\n0.352357 0.901096 0.052189 O\n0.919225 0.049092 0.254094 O\n0.124525 0.363044 0.581499 O\n0.756591 0.319917 0.103801 O\n0.475792 0.863542 0.565715 O\n0.747948 0.199752 0.414609 O\n0.626396 0.503775 0.279841 O\n0.927690 0.819486 0.126217 O\n0.600681 0.401015 0.560070 O\n0.902698 0.632123 0.930609 O\n0.250743 0.346055 0.114644 O\n0.443302 0.673345 0.412662 O\n0.391267 0.273033 0.890821 O\n0.511268 0.571616 0.719521 O\n0.024592 0.839854 0.593332 O\n0.282252 0.207139 0.408819 O\n0.414570 0.753981 0.894780 O\n0.003024 0.687417 0.407598 O\n0.911883 0.942922 0.793014 O\n0.866253 0.133913 0.960065 O\n0.022715 0.477921 0.769996 O\n0.355177 0.969712 0.725775 O\n",
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{
"id": "mp-685036",
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"structure_string": "Al16 O24\n1.0\n-5.654784 0.000000 0.000000\n2.798666 4.917620 0.000000\n-0.153778 -0.507183 -13.631238\nAl O\n16 24\ndirect\n0.816777 0.154007 0.961696 Al\n0.312862 0.136578 0.834263 Al\n0.122809 0.791859 0.660459 Al\n0.303667 0.642362 0.839165 Al\n0.814673 0.631077 0.833828 Al\n0.654093 0.844059 0.287103 Al\n0.942298 0.939506 0.489833 Al\n0.316487 0.163612 0.333966 Al\n0.145115 0.320603 0.643777 Al\n0.642070 0.817613 0.666923 Al\n0.499365 0.023299 0.495463 Al\n0.665781 0.327793 0.173353 Al\n0.978964 0.465405 0.380241 Al\n0.134392 0.324060 0.172088 Al\n0.145717 0.821697 0.062651 Al\n0.492220 0.507081 0.013509 Al\n0.635946 0.321633 0.910536 O\n0.002523 0.496774 0.751579 O\n0.166141 0.320833 0.913092 O\n0.141639 0.815025 0.913925 O\n0.468869 0.481605 0.758398 O\n0.318335 0.656572 0.597432 O\n0.635690 0.836219 0.419717 O\n0.445720 0.943770 0.757705 O\n0.815867 0.680030 0.590979 O\n0.636140 0.792255 0.916253 O\n0.803434 0.119145 0.589505 O\n0.978926 0.954094 0.755638 O\n0.004812 0.019652 0.249534 O\n0.157642 0.828408 0.422363 O\n0.487600 0.024042 0.249335 O\n0.127535 0.274017 0.423354 O\n0.330692 0.183970 0.084032 O\n0.277905 0.108377 0.589174 O\n0.473147 0.479338 0.248487 O\n0.630791 0.309270 0.418507 O\n0.823735 0.172195 0.087859 O\n0.797024 0.626641 0.083737 O\n0.978319 0.479986 0.249313 O\n0.301746 0.629270 0.082491 O\n",
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"formula_full": "Al16 O24",
"formula_reduced": "Al2O3",
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},
{
"id": "mp-1247896",
"created_at": "2022-09-04T14:44:13.189760Z",
"structure_string": "Al16 O24\n1.0\n5.831955 -0.162029 -0.422559\n-2.976366 5.363808 -0.246080\n-9.659054 -6.513843 15.559389\nAl O\n16 24\ndirect\n0.002520 0.058381 0.925142 Al\n0.317747 0.445041 0.738166 Al\n0.145136 0.080620 0.583080 Al\n0.393909 0.998968 0.875212 Al\n0.766878 0.894064 0.701790 Al\n0.414046 0.999227 0.740001 Al\n0.589877 0.511370 0.547904 Al\n0.997858 0.963423 0.180366 Al\n0.673320 0.537004 0.377105 Al\n0.501591 0.978962 0.530038 Al\n0.112782 0.016339 0.338314 Al\n0.770910 0.062489 0.385906 Al\n0.452550 0.375662 0.152999 Al\n0.335575 0.813070 0.157394 Al\n0.568496 0.606735 0.950502 Al\n0.622788 0.105799 0.057440 Al\n0.077126 0.833749 0.750402 O\n0.993226 0.258286 0.744617 O\n0.444495 0.839386 0.949355 O\n0.548876 0.790404 0.744168 O\n0.103655 0.782235 0.405663 O\n0.320704 0.214846 0.911515 O\n0.219152 0.291561 0.426914 O\n0.498593 0.728004 0.577332 O\n0.497152 0.300833 0.726595 O\n0.694695 0.685739 0.885206 O\n0.761794 0.845191 0.444765 O\n0.877544 0.721724 0.072939 O\n0.765418 0.181570 0.884059 O\n0.491318 0.235236 0.580265 O\n0.084322 0.383651 0.108424 O\n0.613375 0.854874 0.275793 O\n0.630558 0.239409 0.403598 O\n0.042455 0.775989 0.602652 O\n0.562585 0.890320 0.111823 O\n0.966248 0.230968 0.592673 O\n0.440285 0.167421 0.210831 O\n0.357244 0.194605 0.050135 O\n0.896606 0.719795 0.226356 O\n0.196588 0.262050 0.280897 O\n",
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"elements": [
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"volume": 439.3989799077363,
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"formula_full": "Al16 O24",
"formula_reduced": "Al2O3",
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"spacegroup": 1
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{
"id": "mp-531917",
"created_at": "2022-09-04T14:47:12.428218Z",
"structure_string": "Al16 Ni8 O32\n1.0\n2.886847 4.977823 0.000000\n-2.886847 4.977823 0.000000\n0.000000 3.214077 18.637448\nAl Ni O\n16 8 32\ndirect\n0.125012 0.629292 0.125673 Al\n0.999822 0.999822 0.002919 Al\n0.900490 0.900490 0.284450 Al\n0.629292 0.125012 0.125673 Al\n0.374877 0.875311 0.374874 Al\n0.150128 0.150128 0.532974 Al\n0.875311 0.374877 0.374874 Al\n0.601097 0.601097 0.216278 Al\n0.398814 0.398814 0.781204 Al\n0.124747 0.624713 0.624483 Al\n0.849650 0.849650 0.466462 Al\n0.624713 0.124747 0.624483 Al\n0.872007 0.376429 0.873975 Al\n0.376429 0.872007 0.873975 Al\n0.099098 0.099098 0.716539 Al\n0.349757 0.349757 0.969745 Al\n0.655105 0.655105 0.031727 Ni\n0.125201 0.125201 0.125853 Ni\n0.375089 0.375089 0.375080 Ni\n0.250996 0.250996 0.249611 Ni\n0.624953 0.624953 0.624624 Ni\n0.500015 0.500015 0.499869 Ni\n0.873178 0.873178 0.874207 Ni\n0.748858 0.748858 0.749988 Ni\n0.275079 0.815601 0.063795 O\n0.931586 0.931586 0.187579 O\n0.815601 0.275079 0.063795 O\n0.831490 0.831490 0.067011 O\n0.439725 0.439725 0.181591 O\n0.551680 0.049152 0.316965 O\n0.320250 0.320250 0.066606 O\n0.049152 0.551680 0.316965 O\n0.453999 0.947963 0.183088 O\n0.180449 0.180449 0.434858 O\n0.063848 0.063848 0.317783 O\n0.947963 0.453999 0.183088 O\n0.686806 0.686806 0.432913 O\n0.802607 0.298189 0.566492 O\n0.701456 0.197607 0.433628 O\n0.569772 0.569772 0.315246 O\n0.298189 0.802607 0.566492 O\n0.430114 0.430114 0.683317 O\n0.312600 0.312600 0.567075 O\n0.197607 0.701456 0.433628 O\n0.936201 0.936201 0.683016 O\n0.054705 0.545287 0.815904 O\n0.950937 0.447250 0.683582 O\n0.819481 0.819481 0.565285 O\n0.545287 0.054705 0.815904 O\n0.678360 0.678360 0.925529 O\n0.557884 0.557884 0.816284 O\n0.447250 0.950937 0.683582 O\n0.179441 0.179441 0.937227 O\n0.068800 0.068800 0.815869 O\n0.188431 0.708610 0.938181 O\n0.708610 0.188431 0.938181 O\n",
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"formula_full": "Al16 Ni8 O32",
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{
"id": "mp-530184",
"created_at": "2022-09-04T14:42:24.469632Z",
"structure_string": "Al16 Ni8 O32\n1.0\n2.879559 4.997431 0.000000\n-2.879559 4.997431 0.000000\n0.000000 3.345605 18.668998\nAl Ni O\n16 8 32\ndirect\n0.998871 0.998871 0.002526 Al\n0.122118 0.631619 0.125299 Al\n0.631619 0.122118 0.125299 Al\n0.250202 0.250202 0.252605 Al\n0.150981 0.150981 0.534012 Al\n0.375512 0.879992 0.375487 Al\n0.879992 0.375512 0.375487 Al\n0.398589 0.398589 0.780887 Al\n0.600733 0.600733 0.219750 Al\n0.624701 0.125160 0.624336 Al\n0.125160 0.624701 0.624336 Al\n0.851076 0.851076 0.466093 Al\n0.871174 0.375432 0.873289 Al\n0.375432 0.871174 0.873289 Al\n0.098573 0.098573 0.716327 Al\n0.348423 0.348423 0.970055 Al\n0.655406 0.655406 0.029314 Ni\n0.123141 0.123141 0.125147 Ni\n0.906034 0.906034 0.283858 Ni\n0.375656 0.375656 0.375395 Ni\n0.625062 0.625062 0.624660 Ni\n0.501179 0.501179 0.499356 Ni\n0.872146 0.872146 0.873989 Ni\n0.748677 0.748677 0.749766 Ni\n0.276704 0.812865 0.062858 O\n0.929443 0.929443 0.179540 O\n0.812865 0.276704 0.062858 O\n0.827624 0.827624 0.066175 O\n0.524430 0.066617 0.313830 O\n0.432222 0.432222 0.186449 O\n0.440484 0.958943 0.188174 O\n0.181826 0.181826 0.437491 O\n0.066617 0.524430 0.313830 O\n0.319524 0.319524 0.067532 O\n0.958943 0.440484 0.188174 O\n0.082800 0.082800 0.317243 O\n0.801783 0.299390 0.566768 O\n0.690213 0.690213 0.431645 O\n0.703798 0.198484 0.433007 O\n0.299390 0.801783 0.566768 O\n0.570959 0.570959 0.316707 O\n0.429780 0.429780 0.683413 O\n0.198484 0.703798 0.433007 O\n0.313492 0.313492 0.567506 O\n0.054081 0.544870 0.815705 O\n0.936217 0.936217 0.683061 O\n0.676816 0.676816 0.924250 O\n0.950591 0.447268 0.683644 O\n0.544870 0.054081 0.815705 O\n0.820104 0.820104 0.565221 O\n0.556940 0.556940 0.815923 O\n0.447268 0.950591 0.683644 O\n0.178586 0.178586 0.937210 O\n0.186969 0.707523 0.938135 O\n0.068196 0.068196 0.815833 O\n0.707523 0.186969 0.938135 O\n",
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"formula_full": "Al16 Ni8 O32",
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"updated_at": "2021-11-28T01:35:43.696000Z",
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},
{
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{
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{
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}
]
}