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{
"id": "mp-759573",
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"structure_string": "Mn6 O5 F7\n1.0\n5.679995 0.000000 0.000000\n1.682984 5.424624 0.000000\n2.139713 1.551962 6.894668\nMn O F\n6 5 7\ndirect\n0.291182 0.331882 0.161389 Mn\n0.677556 0.644330 0.329707 Mn\n0.375663 0.330430 0.683346 Mn\n0.667390 0.687702 0.828671 Mn\n0.995003 0.013787 0.504679 Mn\n0.981754 0.007477 0.003264 Mn\n0.768996 0.772446 0.042163 O\n0.206056 0.229174 0.973596 O\n0.586128 0.564341 0.617675 O\n0.661772 0.038547 0.667320 O\n0.964366 0.345190 0.333935 O\n0.357256 0.944977 0.343476 F\n0.062722 0.645490 0.658738 F\n0.127767 0.112153 0.702276 F\n0.418308 0.417584 0.356934 F\n0.902051 0.894700 0.297448 F\n0.291427 0.705528 0.996348 F\n0.664603 0.314260 0.999033 F\n",
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{
"id": "mp-1174762",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.970887 0.000000 0.000000\n0.114702 5.083345 0.000000\n0.668435 0.311635 16.765827\nLi Mn Co O\n8 2 4 14\ndirect\n0.918036 0.624916 0.143918 Li\n0.364842 0.788445 0.285817 Li\n0.787607 0.931021 0.427676 Li\n0.216422 0.072658 0.570847 Li\n0.645214 0.215105 0.712816 Li\n0.073984 0.361389 0.855491 Li\n0.489664 0.492348 0.005399 Li\n0.442658 0.158773 0.141649 Li\n0.996703 0.011929 0.005832 Mn\n0.142750 0.708043 0.713109 Mn\n0.868443 0.282506 0.280721 Co\n0.284106 0.426928 0.427155 Co\n0.714356 0.568703 0.567399 Co\n0.560940 0.850888 0.858647 Co\n0.486648 0.845768 0.063442 O\n0.888602 0.998877 0.225092 O\n0.298777 0.135300 0.357395 O\n0.713912 0.267021 0.499164 O\n0.190922 0.410956 0.640681 O\n0.568272 0.541917 0.785288 O\n0.018087 0.707503 0.926640 O\n0.426032 0.458886 0.221042 O\n0.851354 0.570460 0.356244 O\n0.237913 0.725799 0.496547 O\n0.718156 0.873322 0.639763 O\n0.111825 0.011487 0.788211 O\n0.510372 0.154523 0.937129 O\n0.973404 0.304530 0.066886 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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{
"id": "mp-1100523",
"created_at": "2022-09-04T14:41:00.996558Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.094047 0.000000 0.000000\n2.204212 7.523837 0.000000\n1.038394 0.302921 7.808800\nLi Mn O\n9 7 16\ndirect\n0.503177 0.685352 0.940466 Li\n0.496823 0.314648 0.059534 Li\n0.479198 0.576973 0.297398 Li\n0.509472 0.182261 0.443706 Li\n0.520802 0.423027 0.702602 Li\n0.491333 0.054121 0.832967 Li\n0.508667 0.945879 0.167033 Li\n0.490528 0.817739 0.556294 Li\n0.000000 0.000000 0.000000 Li\n0.988079 0.756494 0.749589 Mn\n0.011921 0.243506 0.250411 Mn\n0.009956 0.366007 0.881567 Mn\n0.990044 0.633993 0.118433 Mn\n0.993784 0.881005 0.368282 Mn\n0.000000 0.500000 0.500000 Mn\n0.006216 0.118995 0.631718 Mn\n0.210881 0.921567 0.762099 O\n0.233744 0.528692 0.911334 O\n0.225333 0.777433 0.166590 O\n0.234511 0.402605 0.294848 O\n0.203871 0.676350 0.519284 O\n0.237901 0.268970 0.668665 O\n0.247090 0.160249 0.047209 O\n0.230654 0.021262 0.420311 O\n0.766256 0.471308 0.088666 O\n0.789119 0.078433 0.237901 O\n0.796129 0.323650 0.480716 O\n0.769346 0.978738 0.579689 O\n0.774667 0.222567 0.833410 O\n0.752910 0.839751 0.952791 O\n0.762099 0.731030 0.331335 O\n0.765489 0.597395 0.705152 O\n",
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"elements": [
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"density": 3.9006203536592325,
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"volume": 299.28615418486953,
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"formula_full": "Li9 Mn7 O16",
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"energy": -228.91870164,
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{
"id": "mp-685394",
"created_at": "2022-09-04T14:42:00.011756Z",
"structure_string": "Eu2 Al42 O65\n1.0\n-5.689865 0.000000 0.000000\n2.792227 11.095050 0.000000\n-0.130788 -3.210477 -19.540229\nEu Al O\n2 42 65\ndirect\n0.506789 0.499410 0.496190 Eu\n0.000898 0.520489 0.758895 Eu\n0.001226 0.000650 0.000534 Al\n0.388906 0.777869 0.147880 Al\n0.139050 0.778840 0.024989 Al\n0.641245 0.779440 0.025018 Al\n0.525809 0.052859 0.088967 Al\n0.678722 0.357846 0.112691 Al\n0.820351 0.640145 0.135992 Al\n0.887105 0.781868 0.396444 Al\n0.643236 0.782348 0.270687 Al\n0.135313 0.782654 0.270512 Al\n0.974515 0.949989 0.162721 Al\n0.027685 0.061352 0.336815 Al\n0.502533 0.006619 0.251524 Al\n0.870764 0.229616 0.228725 Al\n0.358808 0.229238 0.227763 Al\n0.110994 0.222120 0.103251 Al\n0.327127 0.668970 0.381100 Al\n0.376894 0.747176 0.643339 Al\n0.131120 0.766954 0.525036 Al\n0.641978 0.783051 0.526063 Al\n0.474244 0.952347 0.412800 Al\n0.522848 0.043499 0.585225 Al\n0.000526 0.998765 0.499470 Al\n0.356673 0.215311 0.472274 Al\n0.866968 0.228391 0.472899 Al\n0.623863 0.251462 0.353953 Al\n0.660478 0.314422 0.613836 Al\n0.893139 0.784395 0.899424 Al\n0.647602 0.768814 0.771550 Al\n0.141048 0.791544 0.774120 Al\n0.969226 0.935827 0.661280 Al\n0.028455 0.053695 0.838212 Al\n0.500492 0.993338 0.748555 Al\n0.860865 0.209231 0.728231 Al\n0.356064 0.216513 0.729211 Al\n0.111392 0.217575 0.602469 Al\n0.177105 0.352174 0.864893 Al\n0.332047 0.652284 0.890823 Al\n0.475063 0.947787 0.912476 Al\n0.362365 0.220163 0.977675 Al\n0.859646 0.219475 0.977785 Al\n0.611213 0.219796 0.853727 Al\n0.144442 0.289875 0.024812 O\n0.442066 0.884804 0.075370 O\n0.548706 0.102753 0.180578 O\n0.290139 0.101365 0.046145 O\n0.811764 0.102119 0.046590 O\n0.646160 0.298185 0.272704 O\n0.400091 0.300592 0.148662 O\n0.899115 0.301102 0.149323 O\n0.650609 0.301737 0.023650 O\n0.849296 0.699289 0.224442 O\n0.599272 0.698516 0.099499 O\n0.100951 0.699175 0.099928 O\n0.940797 0.887265 0.324616 O\n0.684553 0.897012 0.202925 O\n0.948745 0.896843 0.069936 O\n0.211250 0.898295 0.203770 O\n0.054694 0.103221 0.432162 O\n0.784784 0.103581 0.298348 O\n0.320268 0.106596 0.301547 O\n0.056547 0.113485 0.172272 O\n0.154390 0.296538 0.527303 O\n0.892256 0.307097 0.404622 O\n0.150284 0.301903 0.270769 O\n0.428670 0.318124 0.412131 O\n0.342411 0.681634 0.469429 O\n0.081598 0.696886 0.345043 O\n0.605933 0.697306 0.346232 O\n0.354324 0.709252 0.225531 O\n0.442546 0.883067 0.567118 O\n0.181248 0.891268 0.451384 O\n0.446384 0.895286 0.321827 O\n0.710641 0.895164 0.452020 O\n0.556183 0.104725 0.677645 O\n0.289001 0.105617 0.550613 O\n0.818162 0.111257 0.551886 O\n0.556628 0.113426 0.436418 O\n0.652701 0.294879 0.774371 O\n0.392408 0.304371 0.655097 O\n0.919527 0.312106 0.657387 O\n0.655954 0.316877 0.528295 O\n0.574872 0.681692 0.587781 O\n0.861491 0.686548 0.736350 O\n0.102871 0.694803 0.596464 O\n0.843783 0.701578 0.472549 O\n0.944049 0.889879 0.823682 O\n0.679656 0.886398 0.700463 O\n0.211785 0.896269 0.703517 O\n0.943223 0.896941 0.568314 O\n0.052583 0.101380 0.929696 O\n0.786202 0.099962 0.794970 O\n0.319286 0.104780 0.795835 O\n0.054910 0.110954 0.674715 O\n0.897163 0.292435 0.900084 O\n0.143624 0.295089 0.773699 O\n0.401583 0.297284 0.900704 O\n0.219041 0.502050 0.856686 O\n0.354184 0.702986 0.978519 O\n0.107472 0.707197 0.850193 O\n0.607944 0.706953 0.851953 O\n0.347458 0.697174 0.727449 O\n0.185098 0.897471 0.951516 O\n0.445027 0.898711 0.819025 O\n0.714695 0.899027 0.952314 O\n0.557127 0.113825 0.924883 O\n0.856978 0.709694 0.975213 O\n",
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{
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"structure_string": "K2 Na1 O2\n1.0\n4.548084 0.000000 0.000000\n0.000000 4.548084 0.000000\n0.000000 0.000000 13.357015\nK Na O\n2 1 2\ndirect\n0.500000 0.500000 0.663331 K\n0.500000 0.500000 0.336669 K\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.162925 O\n0.500000 0.500000 0.837075 O\n",
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{
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"structure_string": "Cr5 Ni1 Sn12\n1.0\n2.767567 -4.770484 0.000000\n2.767567 4.770484 0.000000\n0.000000 0.000000 13.651678\nCr Ni Sn\n5 1 12\ndirect\n0.000000 0.000000 0.168974 Cr\n0.000000 0.000000 0.831026 Cr\n0.500000 0.000000 0.166965 Cr\n0.000000 0.500000 0.833035 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Ni\n0.168180 0.330537 0.664697 Sn\n0.669463 0.831820 0.335303 Sn\n0.165694 0.834306 0.000000 Sn\n0.831820 0.669463 0.664697 Sn\n0.330537 0.168180 0.335303 Sn\n0.834306 0.165694 0.000000 Sn\n0.500000 0.000000 0.554237 Sn\n0.000000 0.500000 0.222915 Sn\n0.500000 0.500000 0.889416 Sn\n0.500000 0.000000 0.777085 Sn\n0.500000 0.500000 0.110584 Sn\n0.000000 0.500000 0.445763 Sn\n",
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{
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{
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