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{
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{
"id": "mp-761218",
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"structure_string": "Mn12 O2 F22\n1.0\n5.917652 0.000000 0.000000\n0.000000 4.951453 0.000000\n0.000000 0.031484 16.184562\nMn O F\n12 2 22\ndirect\n0.165526 0.000000 0.000000 Mn\n0.832245 0.008950 0.826997 Mn\n0.186231 0.971408 0.658194 Mn\n0.186231 0.028592 0.341806 Mn\n0.832245 0.991050 0.173003 Mn\n0.841378 0.000000 0.500000 Mn\n0.329355 0.501017 0.168070 Mn\n0.350798 0.500000 0.500000 Mn\n0.329355 0.498983 0.831930 Mn\n0.644939 0.505931 0.662238 Mn\n0.672109 0.500000 0.000000 Mn\n0.644939 0.494069 0.337762 Mn\n0.389082 0.306612 0.397011 O\n0.389082 0.693388 0.602989 O\n0.100884 0.233782 0.889068 F\n0.110063 0.220495 0.226567 F\n0.121544 0.228217 0.552180 F\n0.882703 0.242296 0.714376 F\n0.892961 0.226793 0.060308 F\n0.886471 0.228304 0.388958 F\n0.390891 0.253811 0.722852 F\n0.605751 0.269244 0.888963 F\n0.392755 0.271623 0.057550 F\n0.605546 0.274234 0.226631 F\n0.613676 0.264764 0.554739 F\n0.605546 0.725766 0.773369 F\n0.392755 0.728377 0.942450 F\n0.605751 0.730756 0.111037 F\n0.613676 0.735236 0.445261 F\n0.390891 0.746189 0.277148 F\n0.110063 0.779505 0.773433 F\n0.100884 0.766218 0.110932 F\n0.892961 0.773207 0.939692 F\n0.886471 0.771696 0.611042 F\n0.121544 0.771783 0.447820 F\n0.882703 0.757704 0.285624 F\n",
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{
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"structure_string": "Mn12 O2 F22\n1.0\n5.284765 0.000000 0.000000\n0.000000 5.260704 0.000000\n0.000000 0.774201 15.746136\nMn O F\n12 2 22\ndirect\n0.046139 0.000000 0.000000 Mn\n0.984127 0.515049 0.167360 Mn\n0.982855 0.004795 0.332239 Mn\n0.992915 0.500000 0.500000 Mn\n0.982855 0.995205 0.667761 Mn\n0.984127 0.484951 0.832640 Mn\n0.490061 0.024795 0.159534 Mn\n0.457884 0.500000 0.000000 Mn\n0.472339 0.494346 0.667693 Mn\n0.496861 0.000000 0.500000 Mn\n0.472339 0.505654 0.332307 Mn\n0.490061 0.975205 0.840466 Mn\n0.258235 0.216086 0.060572 O\n0.258235 0.783914 0.939428 O\n0.218611 0.777739 0.260494 F\n0.222946 0.768286 0.592059 F\n0.222946 0.231714 0.407941 F\n0.218611 0.222261 0.739506 F\n0.314026 0.696219 0.106420 F\n0.264783 0.281472 0.237749 F\n0.274544 0.273540 0.572461 F\n0.314026 0.303781 0.893580 F\n0.264783 0.718528 0.762251 F\n0.274544 0.726460 0.427539 F\n0.730750 0.654958 0.927131 F\n0.723007 0.731471 0.589056 F\n0.718919 0.717347 0.249343 F\n0.730750 0.345042 0.072869 F\n0.723007 0.268529 0.410944 F\n0.718919 0.282653 0.750657 F\n0.769612 0.770008 0.420870 F\n0.813660 0.845939 0.090897 F\n0.764626 0.783986 0.761457 F\n0.769612 0.229992 0.579130 F\n0.813660 0.154061 0.909103 F\n0.764626 0.216014 0.238543 F\n",
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"formula_full": "Mn12 O2 F22",
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{
"id": "mp-849640",
"created_at": "2022-09-04T14:43:38.497732Z",
"structure_string": "Mn12 O2 F22\n1.0\n4.958682 0.000000 0.000000\n-0.086712 5.887792 0.000000\n-0.133802 -0.094525 16.236133\nMn O F\n12 2 22\ndirect\n0.015589 0.169725 0.411127 Mn\n0.010233 0.853672 0.253397 Mn\n0.999464 0.170679 0.084185 Mn\n0.014785 0.167964 0.743886 Mn\n0.009180 0.857208 0.584543 Mn\n0.004945 0.832866 0.916247 Mn\n0.485168 0.313504 0.586078 Mn\n0.506939 0.330551 0.915214 Mn\n0.481520 0.318810 0.255566 Mn\n0.507307 0.668493 0.086774 Mn\n0.505531 0.668908 0.420219 Mn\n0.493828 0.669736 0.747808 Mn\n0.210024 0.091398 0.301625 O\n0.211183 0.089968 0.634054 O\n0.233360 0.108525 0.975694 F\n0.216860 0.884923 0.142571 F\n0.222603 0.885698 0.476251 F\n0.235589 0.895889 0.807930 F\n0.281815 0.392617 0.141883 F\n0.262333 0.609664 0.307403 F\n0.280120 0.393963 0.473713 F\n0.257678 0.606436 0.636976 F\n0.267090 0.398499 0.807593 F\n0.274876 0.606411 0.975296 F\n0.732653 0.397701 0.027764 F\n0.748888 0.621674 0.200815 F\n0.716963 0.388837 0.362615 F\n0.747615 0.627240 0.532731 F\n0.727972 0.609507 0.858375 F\n0.713058 0.385070 0.693829 F\n0.761656 0.104288 0.192765 F\n0.771147 0.109963 0.520011 F\n0.771777 0.881308 0.356643 F\n0.768207 0.896312 0.025700 F\n0.780445 0.109873 0.855511 F\n0.771601 0.882123 0.687209 F\n",
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{
"id": "mp-780473",
"created_at": "2022-09-04T14:39:23.270944Z",
"structure_string": "Mn12 O2 F22\n1.0\n3.698449 3.754548 0.000000\n-3.698449 3.754548 0.000000\n0.000000 0.562310 15.612380\nMn O F\n12 2 22\ndirect\n0.999335 0.999335 0.000913 Mn\n0.997840 0.487583 0.169644 Mn\n0.039600 0.039600 0.329081 Mn\n0.993987 0.525158 0.501186 Mn\n0.996842 0.996842 0.665309 Mn\n0.003409 0.497922 0.832699 Mn\n0.487583 0.997840 0.169644 Mn\n0.499839 0.499839 0.001491 Mn\n0.517739 0.517739 0.656434 Mn\n0.525158 0.993987 0.501186 Mn\n0.473911 0.473911 0.327456 Mn\n0.497922 0.003409 0.832699 Mn\n0.720542 0.720542 0.580295 O\n0.245692 0.245692 0.257072 O\n0.760082 0.192007 0.254460 F\n0.767309 0.767309 0.084341 F\n0.785149 0.226816 0.580315 F\n0.828346 0.828346 0.408626 F\n0.771037 0.231006 0.913967 F\n0.774657 0.774657 0.752924 F\n0.732090 0.266765 0.086688 F\n0.694520 0.694520 0.244380 F\n0.732155 0.732155 0.917208 F\n0.712036 0.281870 0.745877 F\n0.714517 0.314649 0.420598 F\n0.272097 0.272097 0.916360 F\n0.290312 0.290312 0.584907 F\n0.266765 0.732090 0.086688 F\n0.314649 0.714517 0.420598 F\n0.281870 0.712036 0.745877 F\n0.208567 0.208567 0.427182 F\n0.232504 0.232504 0.083091 F\n0.212112 0.212112 0.752058 F\n0.226816 0.785149 0.580315 F\n0.231006 0.771037 0.913967 F\n0.192007 0.760082 0.254460 F\n",
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{
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"structure_string": "Mn12 O2 F22\n1.0\n4.966520 0.000000 0.000000\n0.000000 5.892264 0.000000\n0.000000 0.124861 16.193511\nMn O F\n12 2 22\ndirect\n0.000821 0.079701 0.083499 Mn\n0.012344 0.420068 0.912732 Mn\n0.976249 0.062181 0.744481 Mn\n0.020112 0.079624 0.413001 Mn\n0.008016 0.394999 0.253557 Mn\n0.996643 0.416738 0.583417 Mn\n0.476249 0.937819 0.255519 Mn\n0.520112 0.920376 0.586999 Mn\n0.500821 0.920299 0.916501 Mn\n0.508016 0.605001 0.746443 Mn\n0.512344 0.579932 0.087268 Mn\n0.496643 0.583262 0.416583 Mn\n0.206474 0.160658 0.302165 O\n0.706474 0.839342 0.697835 O\n0.232708 0.146545 0.973566 F\n0.216985 0.134853 0.639699 F\n0.251057 0.375641 0.800191 F\n0.220969 0.361848 0.142633 F\n0.231154 0.359505 0.475218 F\n0.261206 0.856340 0.808763 F\n0.273574 0.643297 0.975276 F\n0.283704 0.858002 0.140364 F\n0.259442 0.644775 0.305763 F\n0.278090 0.859770 0.478213 F\n0.270453 0.632907 0.643098 F\n0.720969 0.638152 0.857367 F\n0.732708 0.853455 0.026434 F\n0.751057 0.624359 0.199809 F\n0.731154 0.640495 0.524782 F\n0.716985 0.865147 0.360301 F\n0.783704 0.141998 0.859636 F\n0.761206 0.143660 0.191237 F\n0.773574 0.356703 0.024724 F\n0.759442 0.355225 0.694237 F\n0.778090 0.140230 0.521787 F\n0.770453 0.367093 0.356902 F\n",
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{
"id": "mp-764816",
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"structure_string": "Mn12 O2 F22\n1.0\n4.964725 0.000000 0.000000\n-0.062069 5.897086 0.000000\n-0.189517 -0.094928 16.212592\nMn O F\n12 2 22\ndirect\n0.991062 0.833402 0.412614 Mn\n0.008938 0.166598 0.587386 Mn\n0.977993 0.811334 0.756611 Mn\n0.010455 0.828504 0.082608 Mn\n0.022007 0.188666 0.243389 Mn\n0.989545 0.171496 0.917392 Mn\n0.491601 0.646255 0.247259 Mn\n0.512918 0.663992 0.912236 Mn\n0.497993 0.672205 0.583278 Mn\n0.508399 0.353745 0.752741 Mn\n0.502007 0.327795 0.416722 Mn\n0.487082 0.336008 0.087764 Mn\n0.293382 0.412565 0.196389 O\n0.706618 0.587435 0.803611 O\n0.228112 0.895518 0.525461 F\n0.240280 0.891972 0.195371 F\n0.214989 0.887378 0.861917 F\n0.250596 0.123992 0.699540 F\n0.216450 0.109483 0.358786 F\n0.228218 0.108847 0.026537 F\n0.263998 0.606691 0.691845 F\n0.269834 0.392617 0.525812 F\n0.279484 0.612359 0.357914 F\n0.275620 0.611920 0.020103 F\n0.267174 0.380446 0.856181 F\n0.720516 0.387641 0.642086 F\n0.730166 0.607383 0.474188 F\n0.736002 0.393309 0.308155 F\n0.724380 0.388080 0.979897 F\n0.732826 0.619554 0.143819 F\n0.783550 0.890517 0.641214 F\n0.749404 0.876008 0.300460 F\n0.771888 0.104482 0.474539 F\n0.759720 0.108028 0.804629 F\n0.771782 0.891153 0.973463 F\n0.785011 0.112622 0.138083 F\n",
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{
"id": "mp-765221",
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"structure_string": "Mn12 O2 F22\n1.0\n16.214164 0.000000 0.000000\n0.000000 4.964197 0.000000\n0.000000 0.091870 5.887149\nMn O F\n12 2 22\ndirect\n0.415292 0.254355 0.923549 Mn\n0.249490 0.241512 0.579305 Mn\n0.088123 0.230664 0.934736 Mn\n0.744467 0.236377 0.916004 Mn\n0.585350 0.240039 0.604970 Mn\n0.919769 0.257941 0.583708 Mn\n0.588123 0.769336 0.065264 Mn\n0.915292 0.745645 0.076451 Mn\n0.419769 0.742059 0.416292 Mn\n0.244467 0.763623 0.083996 Mn\n0.085350 0.759961 0.395030 Mn\n0.749490 0.758488 0.420695 Mn\n0.634783 0.039901 0.837927 O\n0.134783 0.960099 0.162073 O\n0.308247 0.016308 0.854718 F\n0.974149 0.030806 0.859757 F\n0.138298 0.008380 0.644004 F\n0.475256 0.030270 0.637260 F\n0.810275 0.020218 0.642814 F\n0.310275 0.979782 0.357186 F\n0.474149 0.969194 0.140243 F\n0.638298 0.991620 0.355996 F\n0.808247 0.983692 0.145282 F\n0.975256 0.969730 0.362740 F\n0.024573 0.513811 0.142705 F\n0.356474 0.525318 0.144057 F\n0.532472 0.499815 0.373283 F\n0.188712 0.520390 0.369270 F\n0.859315 0.522140 0.358086 F\n0.694953 0.537555 0.135536 F\n0.359315 0.477860 0.641914 F\n0.856474 0.474682 0.855943 F\n0.194953 0.462445 0.864464 F\n0.032472 0.500185 0.626717 F\n0.524573 0.486189 0.857295 F\n0.688712 0.479610 0.630730 F\n",
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{
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{
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{
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"structure_string": "Li10 Mn12 B12 O36\n1.0\n6.374889 8.252894 0.000000\n-6.374889 8.252894 0.000000\n0.000000 4.124237 7.186252\nLi Mn B O\n10 12 12 36\ndirect\n0.267316 0.267316 0.010674 Li\n0.014883 0.517976 0.015389 Li\n0.476910 0.476910 0.280030 Li\n0.227225 0.723079 0.281371 Li\n0.517976 0.014883 0.015389 Li\n0.762897 0.762897 0.030924 Li\n0.723079 0.227225 0.281371 Li\n0.133695 0.133695 0.694814 Li\n0.886875 0.380681 0.702133 Li\n0.380681 0.886875 0.702133 Li\n0.187182 0.437877 0.631790 Mn\n0.238458 0.993742 0.362497 Mn\n0.741884 0.491517 0.388070 Mn\n0.491517 0.741884 0.388070 Mn\n0.573555 0.326737 0.982757 Mn\n0.326737 0.573555 0.982757 Mn\n0.069651 0.820161 0.996446 Mn\n0.931324 0.685602 0.640028 Mn\n0.685602 0.931324 0.640028 Mn\n0.437877 0.187182 0.631790 Mn\n0.993742 0.238458 0.362497 Mn\n0.820161 0.069651 0.996446 Mn\n0.041239 0.541594 0.330918 B\n0.292525 0.292525 0.326415 B\n0.755298 0.495170 0.009949 B\n0.495170 0.755298 0.009949 B\n0.788120 0.788120 0.336522 B\n0.541594 0.041239 0.330918 B\n0.456097 0.456097 0.667475 B\n0.208264 0.708269 0.666552 B\n0.999907 0.257338 0.989796 B\n0.257338 0.999907 0.989796 B\n0.708269 0.208264 0.666552 B\n0.956475 0.956475 0.676294 B\n0.059954 0.310701 0.071454 O\n0.346599 0.346599 0.133993 O\n0.096492 0.595219 0.138428 O\n0.176171 0.891634 0.099098 O\n0.650216 0.405724 0.117538 O\n0.405724 0.650216 0.117538 O\n0.310701 0.059954 0.071454 O\n0.804577 0.553434 0.097691 O\n0.553434 0.804577 0.097691 O\n0.335864 0.335864 0.433975 O\n0.083393 0.584380 0.439718 O\n0.048786 0.288910 0.796566 O\n0.595219 0.096492 0.138428 O\n0.849635 0.849635 0.146252 O\n0.514741 0.514741 0.473076 O\n0.759703 0.271030 0.472459 O\n0.271030 0.759703 0.472459 O\n0.014019 0.014019 0.485928 O\n0.693079 0.693079 0.393691 O\n0.359569 0.359569 0.740639 O\n0.109422 0.614419 0.743412 O\n0.943519 0.444802 0.416826 O\n0.444802 0.943519 0.416826 O\n0.195653 0.195653 0.411817 O\n0.891634 0.176171 0.099098 O\n0.584380 0.083393 0.439718 O\n0.816979 0.816979 0.465396 O\n0.494361 0.494361 0.780898 O\n0.247075 0.750284 0.778641 O\n0.288910 0.048786 0.796566 O\n0.812592 0.524172 0.820589 O\n0.524172 0.812592 0.820589 O\n0.614419 0.109422 0.743412 O\n0.859180 0.859180 0.755272 O\n0.750284 0.247075 0.778641 O\n0.996002 0.996002 0.791996 O\n",
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}