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{
"id": "mp-1080238",
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"structure_string": "Mn16 H16 O32\n1.0\n6.235466 0.000000 0.000000\n0.029038 10.622695 0.000000\n0.073080 0.029970 10.700918\nMn H O\n16 16 32\ndirect\n0.501915 0.357288 0.857450 Mn\n0.998112 0.355358 0.856940 Mn\n0.505358 0.853931 0.642324 Mn\n0.008506 0.853997 0.642972 Mn\n0.994798 0.143909 0.363316 Mn\n0.498693 0.140851 0.357015 Mn\n0.001675 0.640783 0.141943 Mn\n0.496471 0.640355 0.142326 Mn\n0.745386 0.847527 0.343251 Mn\n0.250830 0.848307 0.342564 Mn\n0.751004 0.340553 0.148631 Mn\n0.250827 0.334554 0.149869 Mn\n0.754979 0.661001 0.849147 Mn\n0.253479 0.653184 0.847902 Mn\n0.753964 0.151107 0.661523 Mn\n0.254769 0.151142 0.656690 Mn\n0.715030 0.343717 0.398252 H\n0.270042 0.346729 0.398698 H\n0.520269 0.837411 0.928344 H\n0.000107 0.857178 0.905544 H\n0.009254 0.160829 0.071759 H\n0.466733 0.155395 0.060680 H\n0.468676 0.930990 0.162732 H\n0.996244 0.939171 0.177979 H\n0.973222 0.088337 0.862734 H\n0.518643 0.066056 0.835622 H\n0.257642 0.665283 0.580014 H\n0.772393 0.647040 0.597481 H\n0.235683 0.419002 0.669515 H\n0.757469 0.403414 0.652751 H\n0.219931 0.598250 0.349502 H\n0.759530 0.591180 0.341112 H\n0.757249 0.666306 0.028075 O\n0.243710 0.658291 0.027724 O\n0.735325 0.028299 0.340540 O\n0.255018 0.027257 0.347256 O\n0.753555 0.970735 0.656711 O\n0.253450 0.967721 0.656739 O\n0.757085 0.340387 0.970102 O\n0.243878 0.336170 0.972191 O\n0.992087 0.175002 0.552774 O\n0.527670 0.176577 0.547318 O\n0.986673 0.546857 0.828903 O\n0.521852 0.547083 0.833078 O\n0.487775 0.446549 0.165172 O\n0.025331 0.450003 0.180090 O\n0.494876 0.822847 0.449178 O\n0.021060 0.826476 0.460570 O\n0.471264 0.847929 0.201344 O\n0.997730 0.856094 0.216430 O\n0.004513 0.203017 0.152173 O\n0.475242 0.194639 0.142522 O\n0.987626 0.154832 0.801183 O\n0.512971 0.147956 0.794655 O\n0.518383 0.795377 0.847852 O\n0.000820 0.798549 0.836367 O\n0.753219 0.338012 0.716044 O\n0.244658 0.345367 0.723259 O\n0.759403 0.714410 0.658166 O\n0.261383 0.711213 0.658661 O\n0.754258 0.658312 0.279467 O\n0.242459 0.663276 0.286897 O\n0.736150 0.282615 0.332050 O\n0.261790 0.277791 0.339737 O\n",
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"updated_at": "2021-11-28T01:34:41.395000Z",
"spacegroup": 1
},
{
"id": "mp-707339",
"created_at": "2022-09-04T14:47:15.744711Z",
"structure_string": "As4 H24 N4 O16\n1.0\n7.750347 0.000000 0.000000\n0.000000 8.059436 0.000000\n0.000000 0.000000 8.510602\nAs H N O\n4 24 4 16\ndirect\n0.709108 0.214200 0.240109 As\n0.290892 0.714200 0.259891 As\n0.209108 0.285800 0.759891 As\n0.790892 0.785800 0.740109 As\n0.754086 0.722887 0.403087 H\n0.787641 0.137122 0.753339 H\n0.663547 0.660510 0.231817 H\n0.626521 0.283715 0.733729 H\n0.581425 0.839883 0.932399 H\n0.569833 0.430255 0.368816 H\n0.430167 0.930255 0.131184 H\n0.418575 0.339883 0.567601 H\n0.373479 0.783715 0.766271 H\n0.336453 0.160510 0.268183 H\n0.212359 0.637122 0.746661 H\n0.245914 0.222887 0.096913 H\n0.254086 0.777113 0.596913 H\n0.287641 0.362878 0.246661 H\n0.163547 0.839490 0.768183 H\n0.126521 0.216285 0.266271 H\n0.081425 0.660117 0.067601 H\n0.069833 0.069745 0.631184 H\n0.930167 0.569745 0.868816 H\n0.918575 0.160117 0.432399 H\n0.873479 0.716285 0.233729 H\n0.836453 0.339490 0.731817 H\n0.712359 0.862878 0.253339 H\n0.745914 0.277113 0.903087 H\n0.747826 0.258558 0.778837 N\n0.252174 0.758558 0.721163 N\n0.247826 0.241442 0.221163 N\n0.752174 0.741442 0.278837 N\n0.746285 0.663713 0.587230 O\n0.632130 0.328200 0.406034 O\n0.582778 0.045222 0.214009 O\n0.592918 0.865999 0.820221 O\n0.407082 0.365999 0.679779 O\n0.417222 0.545222 0.285991 O\n0.367870 0.828200 0.093966 O\n0.253715 0.163713 0.912770 O\n0.246285 0.836287 0.412770 O\n0.132130 0.171800 0.593966 O\n0.082778 0.454778 0.785991 O\n0.092918 0.634001 0.179779 O\n0.907082 0.134001 0.320221 O\n0.917222 0.954778 0.714009 O\n0.867870 0.671800 0.906034 O\n0.753715 0.336287 0.087230 O\n",
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],
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"formula_full": "As4 H24 N4 O16",
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{
"id": "mp-778358",
"created_at": "2022-09-04T14:39:08.438310Z",
"structure_string": "Li8 Mn12 B12 O36\n1.0\n3.169800 14.407586 0.000000\n-3.169800 14.407586 0.000000\n0.000000 0.009069 8.245193\nLi Mn B O\n8 12 12 36\ndirect\n0.743634 0.743634 0.705950 Li\n0.243676 0.243676 0.710488 Li\n0.428954 0.428954 0.660405 Li\n0.073674 0.073674 0.628052 Li\n0.994042 0.994042 0.210937 Li\n0.493569 0.493569 0.210532 Li\n0.678935 0.678935 0.162853 Li\n0.823203 0.823203 0.126659 Li\n0.751475 0.252214 0.856163 Mn\n0.252214 0.751475 0.856163 Mn\n0.906112 0.400817 0.829121 Mn\n0.400817 0.906112 0.829121 Mn\n0.590794 0.091187 0.811629 Mn\n0.091187 0.590794 0.811629 Mn\n0.499058 0.004113 0.356449 Mn\n0.004113 0.499058 0.356449 Mn\n0.657790 0.150760 0.329089 Mn\n0.150760 0.657790 0.329089 Mn\n0.843490 0.337400 0.314909 Mn\n0.337400 0.843490 0.314909 Mn\n0.992365 0.503710 0.993228 B\n0.503710 0.992365 0.993228 B\n0.915612 0.915612 0.001365 B\n0.417356 0.417356 0.004297 B\n0.081052 0.081052 0.997223 B\n0.581443 0.581443 0.007726 B\n0.751232 0.245092 0.495228 B\n0.245092 0.751232 0.495228 B\n0.331198 0.331198 0.506878 B\n0.831235 0.831235 0.495055 B\n0.667520 0.667520 0.503830 B\n0.165093 0.165093 0.503370 B\n0.465091 0.465091 0.982074 O\n0.963152 0.963152 0.981790 O\n0.629887 0.629887 0.988154 O\n0.128563 0.128563 0.974991 O\n0.052163 0.052163 0.860911 O\n0.552851 0.552851 0.877177 O\n0.884822 0.884822 0.873620 O\n0.388865 0.388865 0.869135 O\n0.977134 0.474264 0.843103 O\n0.474264 0.977134 0.843103 O\n0.812680 0.812680 0.650283 O\n0.313214 0.313214 0.665133 O\n0.651026 0.651026 0.660958 O\n0.146058 0.146058 0.658701 O\n0.705366 0.239885 0.634472 O\n0.239885 0.705366 0.634472 O\n0.820496 0.270859 0.502084 O\n0.270859 0.820496 0.502084 O\n0.212565 0.212565 0.483307 O\n0.715073 0.715073 0.478019 O\n0.878896 0.878896 0.473270 O\n0.379573 0.379573 0.486726 O\n0.802553 0.802553 0.359064 O\n0.302234 0.302234 0.376978 O\n0.638308 0.638308 0.369991 O\n0.134420 0.134420 0.375218 O\n0.728186 0.224394 0.343892 O\n0.224394 0.728186 0.343892 O\n0.062294 0.062294 0.152039 O\n0.563313 0.563313 0.165988 O\n0.896474 0.896474 0.156709 O\n0.400585 0.400585 0.160874 O\n0.958212 0.486999 0.133946 O\n0.486999 0.958212 0.133946 O\n0.563465 0.029583 0.998465 O\n0.029583 0.563465 0.998465 O\n",
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],
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"formula_full": "Li8 Mn12 B12 O36",
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{
"id": "mp-753062",
"created_at": "2022-09-04T14:40:18.651454Z",
"structure_string": "Li10 Ni2 O2 F10\n1.0\n3.176903 0.000897 0.000750\n0.001544 5.490381 -0.002231\n0.003360 -0.004651 15.238864\nLi Ni O F\n10 2 2 10\ndirect\n0.000249 0.333125 0.338362 Li\n0.500258 0.833096 0.338338 Li\n0.000110 0.333296 0.661969 Li\n0.500105 0.833002 0.662054 Li\n0.500043 0.166660 0.500155 Li\n0.000043 0.666697 0.500141 Li\n0.500436 0.165942 0.176808 Li\n0.000451 0.665873 0.176721 Li\n0.499822 0.166755 0.824668 Li\n0.999726 0.666784 0.825127 Li\n0.498828 0.836125 0.991454 Ni\n0.999372 0.335485 0.991332 Ni\n0.499478 0.167906 0.955481 O\n0.999002 0.667473 0.955874 O\n0.000159 0.332908 0.462398 F\n0.500160 0.832915 0.462378 F\n0.999900 0.333184 0.786284 F\n0.499861 0.832726 0.786405 F\n0.000489 0.332290 0.139996 F\n0.500501 0.832459 0.140099 F\n0.500166 0.166482 0.300812 F\n0.000192 0.666394 0.300758 F\n0.500022 0.166469 0.624267 F\n0.000024 0.666554 0.624185 F\n",
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{
"id": "mp-1031541",
"created_at": "2022-09-04T14:41:52.319888Z",
"structure_string": "Mg6 Cr1 Sn1 O8\n1.0\n8.766698 0.000000 0.000000\n0.000000 4.495894 0.000000\n0.000000 0.000000 4.495894\nMg Cr Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.261990 0.000000 0.500000 Mg\n0.738010 0.000000 0.500000 Mg\n0.261990 0.500000 0.000000 Mg\n0.738010 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Sn\n0.267825 0.000000 0.000000 O\n0.732175 0.000000 0.000000 O\n0.250443 0.500000 0.500000 O\n0.749557 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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"structure_string": "Mg6 Bi1 B1 O8\n1.0\n8.949509 0.000000 0.000000\n0.000000 4.449775 0.000000\n0.000000 0.000000 4.449775\nMg Bi B O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265274 0.000000 0.500000 Mg\n0.734726 0.000000 0.500000 Mg\n0.265274 0.500000 0.000000 Mg\n0.734726 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 B\n0.271484 0.000000 0.000000 O\n0.728516 0.000000 0.000000 O\n0.268852 0.500000 0.500000 O\n0.731148 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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}