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{
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{
"id": "mp-774316",
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"structure_string": "Mn12 O2 F22\n1.0\n5.897184 0.000000 0.000000\n0.000000 4.963211 0.000000\n0.000000 0.218215 16.225363\nMn O F\n12 2 22\ndirect\n0.832777 0.996709 0.416164 Mn\n0.166589 0.984868 0.245268 Mn\n0.855422 0.992527 0.086090 Mn\n0.833411 0.984868 0.745268 Mn\n0.144578 0.992527 0.586090 Mn\n0.167223 0.996709 0.916164 Mn\n0.689434 0.525385 0.587607 Mn\n0.670023 0.485421 0.919206 Mn\n0.665755 0.504416 0.249152 Mn\n0.310566 0.525385 0.087607 Mn\n0.329977 0.485421 0.419206 Mn\n0.334245 0.504416 0.749152 Mn\n0.912487 0.794974 0.635413 O\n0.087513 0.794974 0.135413 O\n0.891398 0.764135 0.309267 F\n0.885558 0.775872 0.976379 F\n0.114442 0.775872 0.476379 F\n0.108602 0.764135 0.809267 F\n0.605728 0.742350 0.137734 F\n0.392314 0.726400 0.308449 F\n0.607830 0.714894 0.472740 F\n0.394272 0.742350 0.637734 F\n0.607686 0.726400 0.808449 F\n0.392170 0.714894 0.972740 F\n0.627971 0.247866 0.032578 F\n0.383658 0.287753 0.193691 F\n0.606225 0.269314 0.360723 F\n0.372029 0.247866 0.532578 F\n0.393775 0.269314 0.860723 F\n0.616342 0.287753 0.693691 F\n0.879258 0.229622 0.189865 F\n0.894442 0.236879 0.523773 F\n0.110618 0.220615 0.355902 F\n0.105558 0.236879 0.023773 F\n0.889382 0.220615 0.855902 F\n0.120742 0.229622 0.689865 F\n",
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{
"id": "mp-777763",
"created_at": "2022-09-04T14:46:03.119589Z",
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"formula_full": "Mn12 O2 F22",
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"updated_at": "2021-11-28T01:37:18.423000Z",
"spacegroup": 2
},
{
"id": "mp-831270",
"created_at": "2022-09-04T14:46:36.091812Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n3.184987 14.233094 0.000000\n-3.184987 14.233094 0.000000\n0.000000 0.022913 8.334236\nLi Mn B O\n10 12 12 36\ndirect\n0.745258 0.745258 0.711433 Li\n0.929395 0.929395 0.663946 Li\n0.429663 0.429663 0.657461 Li\n0.075291 0.075291 0.631409 Li\n0.575125 0.575125 0.633545 Li\n0.495221 0.495221 0.212428 Li\n0.179853 0.179853 0.162010 Li\n0.679089 0.679089 0.158653 Li\n0.324820 0.324820 0.134031 Li\n0.825540 0.825540 0.131069 Li\n0.250999 0.755473 0.874497 Mn\n0.755473 0.250999 0.874497 Mn\n0.407450 0.911624 0.819196 Mn\n0.911624 0.407450 0.819196 Mn\n0.582200 0.090603 0.805932 Mn\n0.090603 0.582200 0.805932 Mn\n0.005109 0.501457 0.374415 Mn\n0.501457 0.005109 0.374415 Mn\n0.156870 0.662146 0.319537 Mn\n0.662146 0.156870 0.319537 Mn\n0.333083 0.839336 0.305243 Mn\n0.839336 0.333083 0.305243 Mn\n0.583533 0.583533 0.998340 B\n0.085556 0.085556 0.995457 B\n0.416205 0.416205 0.998088 B\n0.914735 0.914735 0.991527 B\n0.744824 0.255377 0.507542 B\n0.255377 0.744824 0.507542 B\n0.665556 0.665556 0.497139 B\n0.833489 0.833489 0.497032 B\n0.335576 0.335576 0.497191 B\n0.165321 0.165321 0.491949 B\n0.505572 0.994525 0.007656 B\n0.994525 0.505572 0.007656 B\n0.465185 0.465185 0.988741 O\n0.631843 0.631843 0.980622 O\n0.134345 0.134345 0.975768 O\n0.962500 0.962500 0.962384 O\n0.554428 0.554428 0.863112 O\n0.056248 0.056248 0.860557 O\n0.884434 0.884434 0.860742 O\n0.959996 0.500004 0.858482 O\n0.500004 0.959996 0.858482 O\n0.389331 0.389331 0.859993 O\n0.645367 0.645367 0.649381 O\n0.316183 0.316183 0.648857 O\n0.812345 0.812345 0.647739 O\n0.146549 0.146549 0.645545 O\n0.722467 0.222039 0.646047 O\n0.222039 0.722467 0.646047 O\n0.798036 0.300203 0.522138 O\n0.300203 0.798036 0.522138 O\n0.714513 0.714513 0.486048 O\n0.882034 0.882034 0.480074 O\n0.384116 0.384116 0.475797 O\n0.213190 0.213190 0.464555 O\n0.305855 0.305855 0.363327 O\n0.804677 0.804677 0.360856 O\n0.637930 0.637930 0.360664 O\n0.135714 0.135714 0.359519 O\n0.711573 0.248499 0.358280 O\n0.248499 0.711573 0.358280 O\n0.562649 0.562649 0.150321 O\n0.065690 0.065690 0.145943 O\n0.395227 0.395227 0.148484 O\n0.896631 0.896631 0.146611 O\n0.472759 0.971627 0.146224 O\n0.971627 0.472759 0.146224 O\n0.049673 0.548428 0.022419 O\n0.548428 0.049672 0.022419 O\n",
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"elements": [
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"formula_full": "Li10 Mn12 B12 O36",
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{
"id": "mp-765390",
"created_at": "2022-09-04T14:39:10.894032Z",
"structure_string": "Mn12 O2 F22\n1.0\n5.880199 0.000000 0.000000\n0.000000 4.942669 0.000000\n0.000000 0.082507 16.262713\nMn O F\n12 2 22\ndirect\n0.170340 0.996888 0.330492 Mn\n0.835264 0.011922 0.161262 Mn\n0.208060 0.000000 0.000000 Mn\n0.170340 0.003112 0.669508 Mn\n0.830663 0.000000 0.500000 Mn\n0.835264 0.988078 0.838738 Mn\n0.330007 0.500000 0.500000 Mn\n0.339004 0.514144 0.841165 Mn\n0.339004 0.485856 0.158835 Mn\n0.633339 0.500000 0.000000 Mn\n0.667525 0.502281 0.331262 Mn\n0.667525 0.497719 0.668738 Mn\n0.399992 0.281377 0.053693 O\n0.399992 0.718623 0.946307 O\n0.106979 0.236074 0.220443 F\n0.104699 0.229506 0.558521 F\n0.114164 0.217598 0.890726 F\n0.878868 0.248234 0.048654 F\n0.895873 0.231666 0.389615 F\n0.889845 0.220884 0.725961 F\n0.605280 0.265582 0.223246 F\n0.394560 0.267130 0.390028 F\n0.603619 0.269250 0.558790 F\n0.383158 0.285665 0.730101 F\n0.609792 0.270186 0.886750 F\n0.609792 0.729814 0.113250 F\n0.383158 0.714335 0.269899 F\n0.603619 0.730750 0.441210 F\n0.605280 0.734418 0.776754 F\n0.394560 0.732870 0.609972 F\n0.114164 0.782402 0.109274 F\n0.104699 0.770494 0.441479 F\n0.889845 0.779116 0.274039 F\n0.878868 0.751766 0.951346 F\n0.106979 0.763926 0.779557 F\n0.895873 0.768334 0.610385 F\n",
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{
"id": "mp-774350",
"created_at": "2022-09-04T14:45:41.966592Z",
"structure_string": "Mn12 O2 F22\n1.0\n4.983398 0.000000 0.000000\n-0.104659 5.907596 0.000000\n-0.033289 -0.267411 16.133745\nMn O F\n12 2 22\ndirect\n0.001329 0.831767 0.584685 Mn\n0.003770 0.172106 0.757544 Mn\n0.980751 0.815473 0.923873 Mn\n0.996230 0.827894 0.242456 Mn\n0.998671 0.168233 0.415315 Mn\n0.019249 0.184527 0.076127 Mn\n0.495136 0.671782 0.415741 Mn\n0.503373 0.641989 0.075324 Mn\n0.494996 0.672738 0.752034 Mn\n0.496627 0.358011 0.924676 Mn\n0.504864 0.328218 0.584259 Mn\n0.505004 0.327262 0.247966 Mn\n0.295556 0.398392 0.025128 O\n0.704444 0.601608 0.974872 O\n0.232341 0.900607 0.695295 F\n0.224625 0.890677 0.356072 F\n0.223765 0.890592 0.028928 F\n0.246151 0.129528 0.868646 F\n0.231749 0.103121 0.524878 F\n0.216619 0.110293 0.191410 F\n0.248928 0.614835 0.856218 F\n0.267709 0.392482 0.694191 F\n0.271205 0.603845 0.527162 F\n0.269323 0.393750 0.356305 F\n0.291127 0.614826 0.183426 F\n0.708873 0.385174 0.816574 F\n0.730677 0.606250 0.643695 F\n0.728795 0.396155 0.472838 F\n0.751072 0.385165 0.143782 F\n0.732291 0.607518 0.305809 F\n0.783381 0.889707 0.808590 F\n0.768251 0.896879 0.475122 F\n0.775375 0.109323 0.643928 F\n0.776235 0.109408 0.971072 F\n0.753849 0.870472 0.131354 F\n0.767659 0.099393 0.304705 F\n",
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{
"id": "mp-759669",
"created_at": "2022-09-04T14:43:41.621416Z",
"structure_string": "Mn12 O2 F22\n1.0\n3.700871 3.788338 0.000000\n-3.700871 3.788338 0.000000\n0.000000 1.162620 15.611201\nMn O F\n12 2 22\ndirect\n0.047047 0.047047 0.993983 Mn\n0.005182 0.502691 0.834470 Mn\n0.037941 0.037941 0.660701 Mn\n0.995022 0.486109 0.502291 Mn\n0.012738 0.012738 0.335752 Mn\n0.011763 0.519286 0.165768 Mn\n0.502691 0.005182 0.834470 Mn\n0.474749 0.474749 0.992122 Mn\n0.500402 0.500402 0.333665 Mn\n0.486109 0.995022 0.502291 Mn\n0.467365 0.467365 0.661099 Mn\n0.519286 0.011763 0.165768 Mn\n0.252566 0.252566 0.920025 O\n0.242345 0.242345 0.585362 O\n0.211233 0.211233 0.752518 F\n0.181466 0.763420 0.922309 F\n0.233445 0.233445 0.413472 F\n0.181789 0.750912 0.592231 F\n0.215422 0.215422 0.088557 F\n0.224188 0.779749 0.251219 F\n0.322311 0.711902 0.758491 F\n0.271910 0.728672 0.423888 F\n0.327641 0.720983 0.086931 F\n0.283642 0.283642 0.246674 F\n0.720983 0.327641 0.086931 F\n0.728672 0.271910 0.423888 F\n0.711902 0.322311 0.758491 F\n0.687730 0.687730 0.901040 F\n0.685779 0.685779 0.572258 F\n0.720468 0.720468 0.238980 F\n0.750912 0.181789 0.592231 F\n0.763420 0.181466 0.922309 F\n0.779749 0.224188 0.251219 F\n0.769611 0.769611 0.409837 F\n0.837979 0.837979 0.075306 F\n0.834544 0.834544 0.743449 F\n",
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{
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"structure_string": "Mn12 O2 F22\n1.0\n16.222734 0.000000 0.000000\n0.000000 4.963522 0.000000\n0.000000 4.865661 5.879391\nMn O F\n12 2 22\ndirect\n0.500232 0.826560 0.169916 Mn\n0.328919 0.162265 0.830439 Mn\n0.160758 0.838602 0.180077 Mn\n0.837815 0.839956 0.146453 Mn\n0.668236 0.173999 0.828072 Mn\n0.994460 0.156240 0.831735 Mn\n0.671081 0.162265 0.330439 Mn\n0.005540 0.156240 0.331735 Mn\n0.331764 0.173999 0.328072 Mn\n0.162185 0.839956 0.646453 Mn\n0.499768 0.826560 0.669916 Mn\n0.839242 0.838602 0.680077 Mn\n0.884579 0.883308 0.906345 O\n0.115421 0.883308 0.406345 O\n0.389106 0.666481 0.101416 F\n0.725948 0.668206 0.112381 F\n0.056791 0.667161 0.113926 F\n0.216243 0.869889 0.879879 F\n0.559117 0.875206 0.894153 F\n0.223785 0.342658 0.396311 F\n0.390472 0.128299 0.603742 F\n0.558722 0.331388 0.394188 F\n0.725732 0.113535 0.606315 F\n0.892929 0.343850 0.388405 F\n0.059811 0.112398 0.616246 F\n0.274052 0.668206 0.612381 F\n0.440883 0.875206 0.394153 F\n0.610894 0.666481 0.601416 F\n0.943209 0.667161 0.613926 F\n0.783757 0.869889 0.379879 F\n0.274268 0.113535 0.106315 F\n0.609528 0.128299 0.103742 F\n0.441278 0.331388 0.894188 F\n0.107071 0.343850 0.888405 F\n0.940189 0.112398 0.116246 F\n0.776215 0.342658 0.896311 F\n",
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}