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{
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{
"id": "mp-760328",
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"structure_string": "Li6 Co2 Ni6 O16\n1.0\n2.840203 -4.922510 0.006474\n-5.682094 -0.000947 -0.004297\n0.010451 -0.022015 -9.186287\nLi Co Ni O\n6 2 6 16\ndirect\n0.168887 0.830708 0.053334 Li\n0.662974 0.831768 0.053141 Li\n0.168642 0.337971 0.053332 Li\n0.830858 0.662094 0.553045 Li\n0.338137 0.169094 0.553124 Li\n0.831054 0.168313 0.552747 Li\n0.333424 0.666663 0.508713 Co\n0.666641 0.333443 0.008643 Co\n0.169779 0.830079 0.786177 Ni\n0.660071 0.830120 0.786091 Ni\n0.169804 0.339761 0.786125 Ni\n0.830115 0.660328 0.286140 Ni\n0.339765 0.169949 0.286139 Ni\n0.830044 0.169865 0.286136 Ni\n0.163890 0.836272 0.410047 O\n0.481885 0.963464 0.651036 O\n0.672836 0.836562 0.409461 O\n0.331381 0.666192 0.894767 O\n0.036267 0.517683 0.650569 O\n0.481775 0.518183 0.651570 O\n0.836266 0.672901 0.909653 O\n0.163836 0.327544 0.409719 O\n0.518224 0.481965 0.150437 O\n0.665117 0.333414 0.394869 O\n0.001392 0.000031 0.186859 O\n0.963396 0.481527 0.151208 O\n0.001553 0.000373 0.686882 O\n0.327548 0.164046 0.909996 O\n0.518153 0.036289 0.150837 O\n0.836458 0.163396 0.909317 O\n",
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{
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"structure_string": "Li7 Ni9 O16\n1.0\n4.997086 0.000000 0.000000\n1.623415 5.514957 0.000000\n2.350377 2.276665 9.946043\nLi Ni O\n7 9 16\ndirect\n0.994399 0.812900 0.626840 Li\n0.999847 0.936088 0.872086 Li\n0.000153 0.063912 0.127914 Li\n0.000096 0.440596 0.874785 Li\n0.005601 0.187100 0.373160 Li\n0.999904 0.559404 0.125215 Li\n0.500000 0.500000 0.500000 Li\n0.001488 0.316568 0.621673 Ni\n0.505053 0.121988 0.749443 Ni\n0.494947 0.878012 0.250557 Ni\n0.499234 0.250624 0.000355 Ni\n0.500000 0.000000 0.500000 Ni\n0.500640 0.624377 0.746581 Ni\n0.499360 0.375623 0.253419 Ni\n0.500766 0.749376 0.999645 Ni\n0.998512 0.683432 0.378327 Ni\n0.271250 0.978609 0.689385 O\n0.271168 0.849439 0.420732 O\n0.711664 0.916925 0.069734 O\n0.288336 0.083075 0.930266 O\n0.266640 0.438428 0.698024 O\n0.270572 0.199429 0.190436 O\n0.728750 0.021391 0.310615 O\n0.732906 0.271102 0.807368 O\n0.276318 0.582188 0.942982 O\n0.723682 0.417812 0.057018 O\n0.245099 0.342269 0.437576 O\n0.728832 0.150561 0.579268 O\n0.729428 0.800571 0.809564 O\n0.267094 0.728898 0.192632 O\n0.733360 0.561572 0.301976 O\n0.754901 0.657731 0.562424 O\n",
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{
"id": "mp-1938",
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"structure_string": "Al8 O12\n1.0\n4.846933 0.000000 0.000000\n0.000000 4.985404 0.000000\n0.000000 0.000000 7.089941\nAl O\n8 12\ndirect\n0.252152 0.030514 0.390395 Al\n0.252152 0.469486 0.609605 Al\n0.247848 0.530514 0.109605 Al\n0.247848 0.969486 0.890395 Al\n0.747848 0.969486 0.609605 Al\n0.747848 0.530514 0.390395 Al\n0.752152 0.469486 0.890395 Al\n0.752152 0.030514 0.109605 Al\n0.107021 0.101976 0.654002 O\n0.107021 0.398024 0.345998 O\n0.392979 0.601976 0.845998 O\n0.392979 0.898024 0.154002 O\n0.892979 0.898024 0.345998 O\n0.892979 0.601976 0.654002 O\n0.607021 0.398024 0.154002 O\n0.607021 0.101976 0.845998 O\n0.049404 0.250000 0.000000 O\n0.450596 0.750000 0.500000 O\n0.950596 0.750000 0.000000 O\n0.549404 0.250000 0.500000 O\n",
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"formula_full": "Al8 O12",
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},
{
"id": "mp-1103502",
"created_at": "2022-09-04T14:42:56.989699Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n2.236262 4.529960 0.000000\n-2.236262 4.529960 0.000000\n0.000000 0.380088 6.342298\nCa B H N\n1 2 10 2\ndirect\n0.435882 0.564118 0.000000 Ca\n0.801425 0.864408 0.210127 B\n0.135592 0.198575 0.789873 B\n0.575499 0.700875 0.417728 H\n0.299125 0.424501 0.582272 H\n0.609593 0.080092 0.687968 H\n0.919908 0.390407 0.312032 H\n0.048805 0.805806 0.295152 H\n0.194194 0.951195 0.704848 H\n0.849056 0.433588 0.744194 H\n0.566412 0.150944 0.255806 H\n0.849691 0.861147 0.015205 H\n0.138853 0.150309 0.984795 H\n0.713479 0.627645 0.279554 N\n0.372355 0.286521 0.720446 N\n",
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{
"id": "mp-559139",
"created_at": "2022-09-04T14:42:16.420474Z",
"structure_string": "H32 C12 N8 O4\n1.0\n6.111678 0.000000 0.000000\n0.000000 8.815983 0.000000\n0.000000 5.654716 8.904338\nH C N O\n32 12 8 4\ndirect\n0.248743 0.219149 0.042540 H\n0.946153 0.175845 0.370213 H\n0.046722 0.529444 0.378922 H\n0.999467 0.199234 0.964300 H\n0.953278 0.470556 0.621078 H\n0.344043 0.060893 0.839094 H\n0.446153 0.824155 0.129787 H\n0.818963 0.703473 0.737918 H\n0.398668 0.011993 0.636985 H\n0.898668 0.988007 0.863015 H\n0.053847 0.824155 0.629787 H\n0.181037 0.296527 0.262082 H\n0.453278 0.529444 0.878922 H\n0.601332 0.988007 0.363015 H\n0.000533 0.800766 0.035700 H\n0.258430 0.627034 0.734853 H\n0.251257 0.219149 0.542540 H\n0.741570 0.372966 0.265147 H\n0.553847 0.175845 0.870213 H\n0.748743 0.780851 0.457460 H\n0.681037 0.703473 0.237918 H\n0.546722 0.470556 0.121078 H\n0.844043 0.939107 0.660906 H\n0.318963 0.296527 0.762082 H\n0.500533 0.199234 0.464300 H\n0.655957 0.939107 0.160906 H\n0.241570 0.627034 0.234853 H\n0.758430 0.372966 0.765147 H\n0.751257 0.780851 0.957460 H\n0.155957 0.060893 0.339094 H\n0.101332 0.011993 0.136985 H\n0.499467 0.800766 0.535700 H\n0.416180 0.159295 0.569033 C\n0.934931 0.812036 0.712482 C\n0.278214 0.674345 0.409735 C\n0.565069 0.812036 0.212482 C\n0.065069 0.187964 0.287518 C\n0.221786 0.674345 0.909735 C\n0.083820 0.159295 0.069033 C\n0.778214 0.325655 0.090265 C\n0.434931 0.187964 0.787518 C\n0.916180 0.840705 0.930967 C\n0.721786 0.325655 0.590265 C\n0.583820 0.840705 0.430967 C\n0.959558 0.218976 0.151928 N\n0.459558 0.781024 0.348072 N\n0.178882 0.613143 0.330033 N\n0.678882 0.386857 0.169967 N\n0.540442 0.218976 0.651928 N\n0.821118 0.386857 0.669967 N\n0.321118 0.613143 0.830033 N\n0.040442 0.781024 0.848072 N\n0.800459 0.362329 0.465588 O\n0.300459 0.637671 0.034412 O\n0.699541 0.362329 0.965588 O\n0.199541 0.637671 0.534412 O\n",
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],
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{
"id": "mp-1228640",
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{
"id": "mp-1378752",
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"structure_string": "Al4 Co4 O12\n1.0\n4.769809 0.000000 0.000000\n0.000000 4.920832 0.000000\n0.000000 0.000000 7.300502\nAl Co O\n4 4 12\ndirect\n0.523033 0.933290 0.750000 Al\n0.023033 0.566710 0.250000 Al\n0.976967 0.433290 0.750000 Al\n0.476967 0.066710 0.250000 Al\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.178779 0.318700 0.416852 O\n0.678779 0.181300 0.583148 O\n0.321221 0.818700 0.083148 O\n0.821221 0.681300 0.916852 O\n0.821221 0.681300 0.583148 O\n0.321221 0.818700 0.416852 O\n0.678779 0.181300 0.916852 O\n0.178779 0.318700 0.083148 O\n0.651350 0.414970 0.250000 O\n0.151350 0.085030 0.750000 O\n0.848650 0.914970 0.250000 O\n0.348650 0.585030 0.750000 O\n",
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{
"id": "mp-698183",
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"structure_string": "Mg3 P2 H44 O30\n1.0\n-6.987275 0.000000 0.000000\n3.488152 6.068483 0.000000\n-0.022348 -2.517624 -15.962901\nMg P H O\n3 2 44 30\ndirect\n0.000000 0.500000 0.000000 Mg\n0.649113 0.247595 0.655681 Mg\n0.350887 0.752405 0.344319 Mg\n0.002797 0.963221 0.759053 P\n0.997203 0.036779 0.240947 P\n0.704245 0.361173 0.853458 H\n0.295755 0.638827 0.146542 H\n0.763952 0.177897 0.865929 H\n0.236048 0.822103 0.134071 H\n0.141866 0.798592 0.881626 H\n0.858134 0.201408 0.118374 H\n0.243982 0.923186 0.975496 H\n0.756018 0.076814 0.024504 H\n0.187076 0.318394 0.891918 H\n0.812924 0.681606 0.108082 H\n0.258132 0.309336 0.985875 H\n0.741868 0.690664 0.014125 H\n0.830170 0.009832 0.602425 H\n0.169830 0.990168 0.397575 H\n0.713379 0.995108 0.513752 H\n0.286621 0.004892 0.486248 H\n0.846979 0.671176 0.615905 H\n0.153021 0.328824 0.384095 H\n0.757675 0.498814 0.528207 H\n0.242325 0.501186 0.471793 H\n0.027509 0.567455 0.742984 H\n0.972491 0.432545 0.257016 H\n0.040366 0.342538 0.745269 H\n0.959634 0.657462 0.254731 H\n0.412223 0.344694 0.772450 H\n0.587777 0.655306 0.227550 H\n0.636006 0.580895 0.770455 H\n0.363994 0.419105 0.229545 H\n0.197112 0.050987 0.618769 H\n0.802888 0.949013 0.381231 H\n0.338515 0.283260 0.584972 H\n0.661485 0.716740 0.415028 H\n0.596290 0.921845 0.744128 H\n0.403710 0.078155 0.255872 H\n0.360035 0.916173 0.744968 H\n0.639965 0.083827 0.255032 H\n0.491466 0.728291 0.948393 H\n0.508534 0.271709 0.051607 H\n0.706415 0.839676 0.897012 H\n0.293585 0.160324 0.102988 H\n0.382718 0.671063 0.610849 H\n0.617282 0.328937 0.389151 H\n0.145326 0.471658 0.614252 H\n0.854674 0.528342 0.385748 H\n0.974856 0.928554 0.661342 O\n0.025144 0.071446 0.338658 O\n0.149924 0.218004 0.791314 O\n0.850076 0.781996 0.208686 O\n0.113025 0.832644 0.785285 O\n0.886975 0.167356 0.214715 O\n0.770740 0.875999 0.794949 O\n0.229260 0.124001 0.205051 O\n0.765732 0.310954 0.895434 O\n0.234268 0.689046 0.104566 O\n0.168853 0.774973 0.939452 O\n0.831147 0.225027 0.060548 O\n0.215914 0.393312 0.951949 O\n0.784086 0.606688 0.048051 O\n0.751307 0.070090 0.572703 O\n0.248693 0.929910 0.427297 O\n0.762209 0.509520 0.589965 O\n0.237791 0.490480 0.410035 O\n0.975651 0.412488 0.712793 O\n0.024349 0.587512 0.287207 O\n0.575223 0.416195 0.762710 O\n0.424777 0.583805 0.237290 O\n0.338362 0.143230 0.589902 O\n0.661638 0.856770 0.410098 O\n0.496776 0.959743 0.713739 O\n0.503224 0.040257 0.286261 O\n0.653251 0.826542 0.954625 O\n0.346749 0.173458 0.045375 O\n0.277472 0.521140 0.581512 O\n0.722528 0.478860 0.418488 O\n",
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