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{
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"structure_string": "Li4 Al4 H64 C16 N16\n1.0\n-7.168967 7.168967 4.759744\n7.168967 -7.168967 4.759744\n7.168967 7.168967 -4.759744\nLi Al H C N\n4 4 64 16 16\ndirect\n0.757831 0.410311 0.327503 Li\n0.082808 0.430328 0.672497 Li\n0.680328 0.507831 0.847520 Li\n0.660311 0.832808 0.152480 Li\n0.716813 0.566136 0.169029 Al\n0.397107 0.547784 0.830971 Al\n0.797784 0.466813 0.650677 Al\n0.816136 0.147107 0.349323 Al\n0.642625 0.299215 0.057180 H\n0.242035 0.585445 0.942820 H\n0.835445 0.392625 0.843410 H\n0.549215 0.992035 0.156590 H\n0.473715 0.536892 0.087809 H\n0.449083 0.385907 0.912191 H\n0.635907 0.223715 0.436824 H\n0.786892 0.199083 0.563176 H\n0.847722 0.769911 0.071210 H\n0.698701 0.776513 0.928790 H\n0.026513 0.597722 0.577811 H\n0.019911 0.448701 0.422189 H\n0.814374 0.673268 0.408352 H\n0.264916 0.406022 0.591648 H\n0.656022 0.564374 0.641106 H\n0.923268 0.014916 0.358894 H\n0.344340 0.155071 0.967973 H\n0.187098 0.376367 0.032027 H\n0.626367 0.094340 0.689269 H\n0.405071 0.937098 0.310731 H\n0.373479 0.233841 0.133014 H\n0.100827 0.240464 0.866986 H\n0.490464 0.123479 0.639637 H\n0.483841 0.850827 0.360363 H\n0.384175 0.083113 0.083043 H\n0.000070 0.301132 0.916957 H\n0.551132 0.134175 0.801062 H\n0.333113 0.750070 0.198938 H\n0.606487 0.633340 0.374652 H\n0.258688 0.231835 0.625348 H\n0.481835 0.356487 0.473147 H\n0.883340 0.008688 0.526853 H\n0.402625 0.442182 0.261761 H\n0.180421 0.140864 0.738239 H\n0.390864 0.152625 0.460443 H\n0.692182 0.930421 0.539557 H\n0.458853 0.636088 0.293554 H\n0.342534 0.165299 0.706446 H\n0.415299 0.208853 0.322765 H\n0.886088 0.092534 0.677235 H\n0.038116 0.773909 0.001275 H\n0.772635 0.036841 0.998725 H\n0.286841 0.788116 0.764206 H\n0.023909 0.522635 0.235794 H\n0.968976 0.602342 0.045612 H\n0.556730 0.923363 0.954388 H\n0.173363 0.718976 0.866633 H\n0.852342 0.306730 0.133367 H\n0.089913 0.803771 0.169527 H\n0.634244 0.920386 0.830473 H\n0.170386 0.839913 0.786142 H\n0.053771 0.384244 0.213858 H\n0.087059 0.914999 0.389545 H\n0.525454 0.697514 0.610455 H\n0.947514 0.837059 0.672060 H\n0.164999 0.275454 0.327940 H\n0.107033 0.768957 0.359882 H\n0.409075 0.747151 0.640118 H\n0.997151 0.857033 0.838076 H\n0.018957 0.159075 0.161924 H\n0.097258 0.835370 0.510128 H\n0.325242 0.587130 0.489872 H\n0.837130 0.847258 0.761888 H\n0.085370 0.075242 0.238112 H\n0.419546 0.196549 0.071773 C\n0.124777 0.347774 0.928227 C\n0.597774 0.169546 0.722997 C\n0.446549 0.874777 0.277003 C\n0.506390 0.575896 0.279145 C\n0.296751 0.227244 0.720855 C\n0.477244 0.256390 0.430493 C\n0.825896 0.046751 0.569507 C\n0.988305 0.714730 0.070223 C\n0.644507 0.918082 0.929777 C\n0.168082 0.738305 0.773575 C\n0.964730 0.394507 0.226425 C\n0.044534 0.799745 0.403076 C\n0.396669 0.641458 0.596924 C\n0.891458 0.794534 0.744789 C\n0.049745 0.146669 0.255211 C\n0.602273 0.336328 0.115094 N\n0.221234 0.487178 0.884906 N\n0.737178 0.352273 0.765944 N\n0.586328 0.971234 0.234056 N\n0.573696 0.601744 0.175008 N\n0.426736 0.398688 0.824992 N\n0.648688 0.323696 0.471952 N\n0.851744 0.176736 0.528048 N\n0.827505 0.664776 0.058434 N\n0.606343 0.769071 0.941566 N\n0.019071 0.577505 0.662728 N\n0.914776 0.356343 0.337272 N\n0.861480 0.655008 0.345014 N\n0.309994 0.516466 0.654986 N\n0.766466 0.611480 0.706472 N\n0.905008 0.059994 0.293528 N\n",
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"formula_full": "Li4 Al4 H64 C16 N16",
"formula_reduced": "LiAlH16(CN)4",
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"spacegroup": 80
},
{
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"structure_string": "K4 Cu4 B28 O52\n1.0\n4.796740 0.000000 0.000000\n0.000000 12.933039 0.000000\n0.000000 0.000000 15.571467\nK Cu B O\n4 4 28 52\ndirect\n0.360003 0.195149 0.000000 K\n0.639997 0.804851 0.000000 K\n0.139997 0.695149 0.500000 K\n0.860003 0.304851 0.500000 K\n0.000000 0.000000 0.398516 Cu\n0.500000 0.500000 0.101484 Cu\n0.000000 0.000000 0.601484 Cu\n0.500000 0.500000 0.898516 Cu\n0.408743 0.173326 0.346545 B\n0.591257 0.826674 0.346545 B\n0.091257 0.673326 0.153455 B\n0.908743 0.326674 0.153455 B\n0.591257 0.826674 0.653455 B\n0.408743 0.173326 0.653455 B\n0.908743 0.326674 0.846545 B\n0.091257 0.673326 0.846545 B\n0.199910 0.064528 0.225718 B\n0.800090 0.935472 0.225718 B\n0.300090 0.564528 0.274282 B\n0.699910 0.435472 0.274282 B\n0.800090 0.935472 0.774282 B\n0.199910 0.064528 0.774282 B\n0.699910 0.435472 0.725718 B\n0.300090 0.564528 0.725718 B\n0.570093 0.186849 0.195954 B\n0.429907 0.813151 0.195954 B\n0.929907 0.686849 0.304046 B\n0.070093 0.313151 0.304046 B\n0.429907 0.813151 0.804046 B\n0.570093 0.186849 0.804046 B\n0.070093 0.313151 0.695954 B\n0.929907 0.686849 0.695954 B\n0.422915 0.117663 0.500000 B\n0.577085 0.882337 0.500000 B\n0.077085 0.617663 0.000000 B\n0.922915 0.382337 0.000000 B\n0.114386 0.978071 0.000000 O\n0.885614 0.021929 0.000000 O\n0.385614 0.478071 0.500000 O\n0.614386 0.521929 0.500000 O\n0.000000 0.000000 0.192084 O\n0.500000 0.500000 0.307916 O\n0.000000 0.000000 0.807916 O\n0.500000 0.500000 0.692084 O\n0.170703 0.066316 0.500000 O\n0.829297 0.933684 0.500000 O\n0.329297 0.566316 0.000000 O\n0.670703 0.433684 0.000000 O\n0.375814 0.112184 0.167618 O\n0.624186 0.887816 0.167618 O\n0.124186 0.612184 0.332382 O\n0.875814 0.387816 0.332382 O\n0.624186 0.887816 0.832382 O\n0.375814 0.112184 0.832382 O\n0.875814 0.387816 0.667618 O\n0.124186 0.612184 0.667618 O\n0.552344 0.143890 0.424391 O\n0.447656 0.856110 0.424391 O\n0.947656 0.643890 0.075609 O\n0.052344 0.356110 0.075609 O\n0.447656 0.856110 0.575609 O\n0.552344 0.143890 0.575609 O\n0.052344 0.356110 0.924391 O\n0.947656 0.643890 0.924391 O\n0.217289 0.260405 0.365027 O\n0.782711 0.739595 0.365027 O\n0.282711 0.760405 0.134973 O\n0.717289 0.239595 0.134973 O\n0.782711 0.739595 0.634973 O\n0.217289 0.260405 0.634973 O\n0.717289 0.239595 0.865027 O\n0.282711 0.760405 0.865027 O\n0.225456 0.080732 0.313469 O\n0.774544 0.919268 0.313469 O\n0.274544 0.580732 0.186531 O\n0.725456 0.419268 0.186531 O\n0.774544 0.919268 0.686531 O\n0.225456 0.080732 0.686531 O\n0.725456 0.419268 0.813469 O\n0.274544 0.580732 0.813469 O\n0.613885 0.198687 0.281780 O\n0.386115 0.801313 0.281780 O\n0.886115 0.698687 0.218220 O\n0.113885 0.301313 0.218220 O\n0.386115 0.801313 0.718220 O\n0.613885 0.198687 0.718220 O\n0.113885 0.301313 0.781780 O\n0.886115 0.698687 0.781780 O\n",
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{
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"structure_string": "Sr4 Ho2 Ta2 O12\n1.0\n5.951545 0.000000 0.000000\n0.000000 5.824927 0.000000\n0.000000 5.805554 8.308161\nSr Ho Ta O\n4 2 2 12\ndirect\n0.458179 0.241492 0.747982 Sr\n0.541821 0.758508 0.252018 Sr\n0.958179 0.758508 0.752018 Sr\n0.041821 0.241492 0.247982 Sr\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.025453 0.315041 0.764553 O\n0.974547 0.684959 0.235447 O\n0.525453 0.684959 0.735447 O\n0.474547 0.315041 0.264553 O\n0.726334 0.849327 0.954254 O\n0.273666 0.150673 0.045746 O\n0.226334 0.150673 0.545746 O\n0.773666 0.849327 0.454254 O\n0.197557 0.763892 0.960707 O\n0.802443 0.236108 0.039293 O\n0.697557 0.236108 0.539293 O\n0.302443 0.763892 0.460707 O\n",
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{
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"structure_string": "Re8 Hg20 O40\n1.0\n12.314291 0.000000 0.000000\n0.000000 8.883351 0.000000\n0.000000 1.598804 12.300202\nRe Hg O\n8 20 40\ndirect\n0.537178 0.704401 0.927694 Re\n0.016981 0.302377 0.929456 Re\n0.483019 0.302377 0.429456 Re\n0.516981 0.697623 0.570544 Re\n0.962822 0.704401 0.427694 Re\n0.462822 0.295599 0.072306 Re\n0.037178 0.295599 0.572306 Re\n0.983019 0.697623 0.070544 Re\n0.714918 0.995601 0.402136 Hg\n0.229920 0.602797 0.760144 Hg\n0.214918 0.004399 0.097864 Hg\n0.200160 0.328819 0.254338 Hg\n0.977734 0.120945 0.247309 Hg\n0.022266 0.879055 0.752691 Hg\n0.477734 0.879055 0.252691 Hg\n0.700160 0.671181 0.245662 Hg\n0.285082 0.004399 0.597864 Hg\n0.270080 0.602797 0.260144 Hg\n0.299840 0.328819 0.754338 Hg\n0.785082 0.995601 0.902136 Hg\n0.743919 0.060770 0.097796 Hg\n0.770080 0.397203 0.239856 Hg\n0.522266 0.120945 0.747309 Hg\n0.243919 0.939230 0.402204 Hg\n0.756081 0.060770 0.597796 Hg\n0.799840 0.671181 0.745662 Hg\n0.256081 0.939230 0.902204 Hg\n0.729920 0.397203 0.739856 Hg\n0.998558 0.124888 0.883161 O\n0.354819 0.095528 0.746346 O\n0.015047 0.446962 0.818364 O\n0.901941 0.273821 0.618636 O\n0.912336 0.520718 0.426107 O\n0.854819 0.904472 0.753654 O\n0.484953 0.446962 0.318364 O\n0.589669 0.327521 0.519506 O\n0.089669 0.672479 0.980494 O\n0.118214 0.173168 0.662511 O\n0.312244 0.840581 0.251504 O\n0.087664 0.479282 0.573893 O\n0.549861 0.763199 0.056913 O\n0.812244 0.159419 0.248496 O\n0.687756 0.159419 0.748496 O\n0.401941 0.726179 0.881364 O\n0.145181 0.095528 0.246346 O\n0.641692 0.696376 0.502013 O\n0.098059 0.726179 0.381364 O\n0.910331 0.327521 0.019506 O\n0.141692 0.303624 0.997987 O\n0.187756 0.840581 0.751504 O\n0.049861 0.236801 0.443087 O\n0.001442 0.875112 0.116839 O\n0.498558 0.875112 0.616839 O\n0.858308 0.696376 0.002013 O\n0.618214 0.826832 0.837489 O\n0.881786 0.826832 0.337489 O\n0.501442 0.124888 0.383161 O\n0.645181 0.904472 0.253654 O\n0.450139 0.236801 0.943087 O\n0.412336 0.479282 0.073893 O\n0.410331 0.672479 0.480494 O\n0.515047 0.553038 0.681636 O\n0.587664 0.520718 0.926107 O\n0.984953 0.553038 0.181636 O\n0.950139 0.763199 0.556913 O\n0.358308 0.303624 0.497987 O\n0.598059 0.273821 0.118636 O\n0.381786 0.173168 0.162511 O\n",
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{
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"structure_string": "Ti8 Cr4 O20\n1.0\n5.200133 0.000005 0.000001\n0.000009 9.679347 -3.549611\n0.000002 0.114770 7.067045\nTi Cr O\n8 4 20\ndirect\n0.483034 0.134267 0.220429 Ti\n0.983034 0.634270 0.220431 Ti\n0.983033 0.365731 0.279571 Ti\n0.483032 0.865734 0.279572 Ti\n0.516967 0.134266 0.720431 Ti\n0.016967 0.634270 0.720431 Ti\n0.016966 0.365729 0.779570 Ti\n0.516968 0.865735 0.779572 Ti\n0.499976 0.500002 0.999997 Cr\n0.500022 0.499991 0.499995 Cr\n0.000020 0.999998 0.999998 Cr\n0.999989 0.000003 0.499986 Cr\n0.792113 0.000002 0.750001 O\n0.292117 0.500001 0.749998 O\n0.207891 0.999998 0.250000 O\n0.707882 0.499999 0.250002 O\n0.854387 0.416643 0.557004 O\n0.354378 0.916650 0.557006 O\n0.354376 0.083351 0.942997 O\n0.854379 0.583355 0.942999 O\n0.645616 0.083353 0.442994 O\n0.145617 0.583355 0.442999 O\n0.145615 0.416646 0.057004 O\n0.645622 0.916650 0.057007 O\n0.187441 0.204195 0.670480 O\n0.687448 0.704203 0.670480 O\n0.687448 0.295797 0.829519 O\n0.187442 0.795805 0.829526 O\n0.312552 0.295797 0.329522 O\n0.812559 0.795805 0.329526 O\n0.812558 0.204194 0.170475 O\n0.312552 0.704204 0.170482 O\n",
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"spacegroup": 15
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{
"id": "mp-8424",
"created_at": "2022-09-04T14:39:14.102800Z",
"structure_string": "Li8 Pr1 O6\n1.0\n5.854236 -2.863301 0.000000\n5.854236 2.863301 0.000000\n4.453798 0.000000 4.757547\nLi Pr O\n8 1 6\ndirect\n0.371259 0.371259 0.371259 Li\n0.904716 0.500525 0.221740 Li\n0.500525 0.221740 0.904716 Li\n0.221740 0.904716 0.500525 Li\n0.095284 0.499475 0.778260 Li\n0.499475 0.778260 0.095284 Li\n0.628741 0.628741 0.628741 Li\n0.778260 0.095284 0.499475 Li\n0.000000 0.000000 0.000000 Pr\n0.886222 0.243989 0.600583 O\n0.399417 0.113778 0.756011 O\n0.113778 0.756011 0.399417 O\n0.243989 0.600583 0.886222 O\n0.600583 0.886222 0.243989 O\n0.756011 0.399417 0.113778 O\n",
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