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{
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{
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{
"id": "mp-1177430",
"created_at": "2022-09-04T14:42:23.467580Z",
"structure_string": "Li8 Fe4 P6 O24\n1.0\n8.443702 0.000000 0.000000\n4.126512 7.384759 0.000000\n4.216301 2.453826 7.521998\nLi Fe P O\n8 4 6 24\ndirect\n0.127159 0.763842 0.676584 Li\n0.415836 0.136353 0.678783 Li\n0.844553 0.200557 0.961240 Li\n0.241261 0.561147 0.355547 Li\n0.758739 0.438853 0.644453 Li\n0.155447 0.799443 0.038760 Li\n0.584164 0.863647 0.321217 Li\n0.872841 0.236158 0.323416 Li\n0.142541 0.139775 0.568728 Fe\n0.857459 0.860225 0.431272 Fe\n0.344469 0.340948 0.966328 Fe\n0.655531 0.659052 0.033672 Fe\n0.044384 0.451366 0.758929 P\n0.454779 0.740633 0.750556 P\n0.740346 0.051801 0.754360 P\n0.259654 0.948199 0.245640 P\n0.545221 0.259367 0.249444 P\n0.955616 0.548634 0.241071 P\n0.168250 0.490848 0.813165 O\n0.133362 0.243499 0.755753 O\n0.035167 0.598828 0.574280 O\n0.472220 0.785717 0.890599 O\n0.242959 0.859379 0.753305 O\n0.494199 0.525476 0.797902 O\n0.522976 0.168455 0.810649 O\n0.796773 0.842456 0.875088 O\n0.205565 0.946701 0.436806 O\n0.836415 0.472591 0.889603 O\n0.144971 0.848165 0.244242 O\n0.402204 0.205149 0.433809 O\n0.597796 0.794851 0.566191 O\n0.855029 0.151835 0.755758 O\n0.163585 0.527409 0.110397 O\n0.794435 0.053299 0.563194 O\n0.203227 0.157544 0.124912 O\n0.477024 0.831545 0.189351 O\n0.505801 0.474524 0.202098 O\n0.757041 0.140621 0.246695 O\n0.527780 0.214283 0.109401 O\n0.964833 0.401172 0.425720 O\n0.866638 0.756501 0.244247 O\n0.831750 0.509152 0.186835 O\n",
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"formula_full": "Li8 Fe4 P6 O24",
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"updated_at": "2021-11-28T01:35:45.006000Z",
"spacegroup": 2
},
{
"id": "mp-1174525",
"created_at": "2022-09-04T14:42:23.473706Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.490829 7.444827 0.000000\n-1.490829 7.444827 0.000000\n0.000000 2.942509 9.679823\nLi Mn Co O\n7 2 3 12\ndirect\n0.496434 0.496434 0.265609 Li\n0.171755 0.171755 0.736627 Li\n0.828245 0.828245 0.263373 Li\n0.503566 0.503566 0.734391 Li\n0.163917 0.163917 0.262876 Li\n0.836083 0.836083 0.737124 Li\n0.000000 0.000000 0.500000 Li\n0.336877 0.336877 0.994774 Mn\n0.663123 0.663123 0.005226 Mn\n0.340027 0.340027 0.497803 Co\n0.000000 0.000000 0.000000 Co\n0.659973 0.659973 0.502197 Co\n0.575878 0.575878 0.897451 O\n0.252478 0.252478 0.390268 O\n0.917007 0.917007 0.883892 O\n0.593998 0.593998 0.382316 O\n0.247188 0.247188 0.888242 O\n0.911540 0.911540 0.381155 O\n0.406002 0.406002 0.617684 O\n0.082993 0.082993 0.116108 O\n0.747522 0.747522 0.609732 O\n0.424122 0.424122 0.102549 O\n0.088460 0.088460 0.618845 O\n0.752812 0.752812 0.111758 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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{
"id": "mp-1228177",
"created_at": "2022-09-04T14:42:23.484292Z",
"structure_string": "Al2 Tl2 Si6 O16\n1.0\n7.363885 0.000000 0.000000\n-1.811995 7.568204 0.000000\n-2.210631 -3.533711 6.963291\nAl Tl Si O\n2 2 6 16\ndirect\n0.218174 0.815061 0.202437 Al\n0.781826 0.184939 0.797563 Al\n0.154982 0.295913 0.291589 Tl\n0.845018 0.704087 0.708411 Tl\n0.339290 0.603848 0.847122 Si\n0.346691 0.840310 0.604799 Si\n0.660710 0.396152 0.152878 Si\n0.653309 0.159690 0.395201 Si\n0.228128 0.201036 0.822400 Si\n0.771872 0.798964 0.177600 Si\n0.220204 0.663004 0.984165 O\n0.232681 0.995026 0.674557 O\n0.779796 0.336996 0.015835 O\n0.767319 0.004974 0.325443 O\n0.253787 0.722470 0.371936 O\n0.266859 0.360425 0.734053 O\n0.746213 0.277530 0.628064 O\n0.733141 0.639575 0.265947 O\n0.982886 0.847178 0.149127 O\n0.017114 0.152822 0.850873 O\n0.281956 0.667856 0.673767 O\n0.718044 0.332144 0.326233 O\n0.409249 0.049153 0.298039 O\n0.412042 0.298364 0.036812 O\n0.590751 0.950847 0.701961 O\n0.587958 0.701636 0.963188 O\n",
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{
"id": "mp-1178268",
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"structure_string": "Gd1 Al1 O3\n1.0\n3.735328 0.000000 0.000000\n0.000000 3.735328 0.000000\n0.000000 0.000000 3.735328\nGd Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ni12 Te8 O32\n1.0\n0.000000 0.000000 -4.969017\n-6.454674 -11.262252 0.000000\n-6.489737 11.281692 0.000000\nNi Te O\n12 8 32\ndirect\n0.528812 0.431279 0.357819 Ni\n0.529251 0.931307 0.567885 Ni\n0.536385 0.640035 0.071403 Ni\n0.530484 0.925564 0.358000 Ni\n0.527471 0.636815 0.568298 Ni\n0.536532 0.430831 0.070833 Ni\n0.028812 0.568721 0.642181 Ni\n0.029251 0.068693 0.432115 Ni\n0.036385 0.359965 0.928597 Ni\n0.030484 0.074436 0.642000 Ni\n0.027471 0.363185 0.431702 Ni\n0.036532 0.569168 0.929167 Ni\n0.472802 0.138982 0.861350 Te\n0.472366 0.723072 0.862564 Te\n0.468529 0.140617 0.283985 Te\n0.972802 0.861018 0.138650 Te\n0.972366 0.276928 0.137436 Te\n0.968529 0.859383 0.716015 Te\n0.638556 0.665587 0.332701 Te\n0.138556 0.334413 0.667299 Te\n0.234260 0.205416 0.795168 O\n0.233026 0.589981 0.795015 O\n0.208467 0.202547 0.405165 O\n0.734260 0.794584 0.204832 O\n0.733026 0.410019 0.204985 O\n0.708467 0.797453 0.594835 O\n0.211767 0.323494 0.052800 O\n0.202110 0.731647 0.681570 O\n0.204767 0.947960 0.274112 O\n0.212159 0.729217 0.053130 O\n0.203829 0.950154 0.679411 O\n0.203125 0.323999 0.272675 O\n0.711767 0.676506 0.947200 O\n0.702110 0.268353 0.318430 O\n0.704767 0.052040 0.725888 O\n0.712159 0.270783 0.946870 O\n0.703829 0.049846 0.320589 O\n0.703125 0.676001 0.727325 O\n0.918223 0.402091 0.596526 O\n0.919243 0.194688 0.596631 O\n0.920953 0.403292 0.806481 O\n0.418223 0.597909 0.403474 O\n0.419243 0.805312 0.403369 O\n0.420953 0.596708 0.193519 O\n0.333412 0.479138 0.520474 O\n0.336271 0.042168 0.520677 O\n0.340373 0.478864 0.957621 O\n0.833412 0.520862 0.479526 O\n0.836271 0.957832 0.479323 O\n0.840373 0.521136 0.042379 O\n0.383826 0.058872 0.126080 O\n0.883826 0.941128 0.873920 O\n",
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"formula_full": "Ni12 Te8 O32",
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{
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"structure_string": "Sr8 Ga8 B8 O32\n1.0\n5.984589 0.000000 0.000000\n0.000000 9.127466 0.000000\n0.000000 0.000000 15.569126\nSr Ga B O\n8 8 8 32\ndirect\n0.000000 0.713801 0.479096 Sr\n0.000000 0.213801 0.020904 Sr\n0.000000 0.286199 0.520904 Sr\n0.500000 0.926551 0.120923 Sr\n0.000000 0.786199 0.979096 Sr\n0.500000 0.073449 0.879077 Sr\n0.500000 0.426551 0.379077 Sr\n0.500000 0.573449 0.620923 Sr\n0.247968 0.536360 0.153316 Ga\n0.247968 0.463640 0.846684 Ga\n0.752032 0.536360 0.153316 Ga\n0.247968 0.036360 0.346684 Ga\n0.752032 0.036360 0.346684 Ga\n0.247968 0.963640 0.653316 Ga\n0.752032 0.463640 0.846684 Ga\n0.752032 0.963640 0.653316 Ga\n0.500000 0.792941 0.424572 B\n0.000000 0.480866 0.313154 B\n0.500000 0.207059 0.575428 B\n0.000000 0.019134 0.813154 B\n0.000000 0.519134 0.686846 B\n0.000000 0.980866 0.186846 B\n0.500000 0.707059 0.924572 B\n0.500000 0.292941 0.075428 B\n0.500000 0.153939 0.353785 O\n0.000000 0.622098 0.107834 O\n0.000000 0.030051 0.901131 O\n0.796713 0.015750 0.768966 O\n0.796713 0.984250 0.231034 O\n0.700868 0.357686 0.098267 O\n0.700868 0.642314 0.901733 O\n0.000000 0.877902 0.607834 O\n0.796713 0.515750 0.731034 O\n0.203287 0.015750 0.768966 O\n0.000000 0.969949 0.098869 O\n0.299132 0.642314 0.901733 O\n0.299132 0.857686 0.401733 O\n0.500000 0.346061 0.853785 O\n0.203287 0.984250 0.231034 O\n0.796713 0.484250 0.268966 O\n0.000000 0.469949 0.401131 O\n0.500000 0.339344 0.533227 O\n0.700868 0.142314 0.598267 O\n0.700868 0.857686 0.401733 O\n0.500000 0.160656 0.033227 O\n0.000000 0.530051 0.598869 O\n0.500000 0.660656 0.466773 O\n0.299132 0.142314 0.598267 O\n0.203287 0.484250 0.268966 O\n0.000000 0.122098 0.392166 O\n0.000000 0.377902 0.892166 O\n0.500000 0.846061 0.646215 O\n0.500000 0.653939 0.146215 O\n0.500000 0.839344 0.966773 O\n0.299132 0.357686 0.098267 O\n0.203287 0.515750 0.731034 O\n",
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{
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{
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"structure_string": "Rb8 Be12 Cd8 F48\n1.0\n10.619650 0.000000 0.000000\n0.000000 10.619650 0.000000\n0.000000 0.000000 10.619650\nRb Be Cd F\n8 12 8 48\ndirect\n0.056988 0.056988 0.056988 Rb\n0.443012 0.943012 0.556988 Rb\n0.556988 0.443012 0.943012 Rb\n0.943012 0.556988 0.443012 Rb\n0.296546 0.296546 0.296546 Rb\n0.203454 0.703454 0.796546 Rb\n0.796546 0.203454 0.703454 Rb\n0.703454 0.796546 0.203454 Rb\n0.624597 0.474352 0.261930 Be\n0.875403 0.525648 0.761930 Be\n0.375403 0.974352 0.238070 Be\n0.124597 0.025648 0.738070 Be\n0.974352 0.238070 0.375403 Be\n0.738070 0.124597 0.025648 Be\n0.238070 0.375403 0.974352 Be\n0.525648 0.761930 0.875403 Be\n0.761930 0.875403 0.525648 Be\n0.025648 0.738070 0.124597 Be\n0.474352 0.261930 0.624597 Be\n0.261930 0.624597 0.474352 Be\n0.579060 0.579060 0.579060 Cd\n0.920940 0.420940 0.079060 Cd\n0.079060 0.920940 0.420940 Cd\n0.420940 0.079060 0.920940 Cd\n0.837651 0.837651 0.837651 Cd\n0.662349 0.162349 0.337651 Cd\n0.337651 0.662349 0.162349 Cd\n0.162349 0.337651 0.662349 Cd\n0.397592 0.666865 0.511474 F\n0.429735 0.837248 0.240547 F\n0.070265 0.162752 0.740547 F\n0.837248 0.240547 0.429735 F\n0.975569 0.431030 0.709954 F\n0.524431 0.568970 0.209954 F\n0.209954 0.524431 0.568970 F\n0.568970 0.209954 0.524431 F\n0.931030 0.790046 0.024431 F\n0.709954 0.975569 0.431030 F\n0.431030 0.709954 0.975569 F\n0.290046 0.475569 0.068970 F\n0.790046 0.024431 0.931030 F\n0.068970 0.290046 0.475569 F\n0.024431 0.931030 0.790046 F\n0.475569 0.068970 0.290046 F\n0.666865 0.511474 0.397592 F\n0.929735 0.662752 0.759453 F\n0.511474 0.397592 0.666865 F\n0.988526 0.602408 0.166865 F\n0.897592 0.833135 0.488526 F\n0.488526 0.897592 0.833135 F\n0.102408 0.333135 0.011474 F\n0.602408 0.166865 0.988526 F\n0.011474 0.102408 0.333135 F\n0.166865 0.988526 0.602408 F\n0.333135 0.011474 0.102408 F\n0.833135 0.488526 0.897592 F\n0.739193 0.485069 0.170111 F\n0.170111 0.739193 0.485069 F\n0.485069 0.170111 0.739193 F\n0.014931 0.829889 0.239193 F\n0.670111 0.760807 0.514931 F\n0.514931 0.670111 0.760807 F\n0.329889 0.260807 0.985069 F\n0.829889 0.239193 0.014931 F\n0.985069 0.329889 0.260807 F\n0.239193 0.014931 0.829889 F\n0.260807 0.985069 0.329889 F\n0.760807 0.514931 0.670111 F\n0.570265 0.337248 0.259453 F\n0.259453 0.570265 0.337248 F\n0.337248 0.259453 0.570265 F\n0.162752 0.740547 0.070265 F\n0.759453 0.929735 0.662752 F\n0.740547 0.070265 0.162752 F\n0.240547 0.429735 0.837248 F\n0.662752 0.759453 0.929735 F\n",
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}