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{
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{
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"structure_string": "Mg4 Si16 Ni4 O40\n1.0\n7.267581 0.000000 0.000000\n0.000000 7.267581 0.000000\n0.000000 0.000000 14.836043\nMg Si Ni O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.167903 0.242980 0.644018 Si\n0.832097 0.757020 0.644018 Si\n0.242980 0.167903 0.855982 Si\n0.742980 0.332097 0.644018 Si\n0.257020 0.667903 0.644018 Si\n0.332097 0.742980 0.855982 Si\n0.667903 0.257020 0.855982 Si\n0.757020 0.832097 0.855982 Si\n0.332097 0.257020 0.355982 Si\n0.667903 0.742980 0.355982 Si\n0.257020 0.332097 0.144018 Si\n0.757020 0.167903 0.355982 Si\n0.242980 0.832097 0.355982 Si\n0.167903 0.757020 0.144018 Si\n0.832097 0.242980 0.144018 Si\n0.742980 0.667903 0.144018 Si\n0.500000 0.000000 0.571875 Ni\n0.000000 0.500000 0.928125 Ni\n0.000000 0.500000 0.428125 Ni\n0.500000 0.000000 0.071875 Ni\n0.240080 0.086388 0.575120 O\n0.759920 0.913612 0.575120 O\n0.086388 0.240080 0.924880 O\n0.586388 0.259920 0.575120 O\n0.413612 0.740080 0.575120 O\n0.259920 0.586388 0.924880 O\n0.740080 0.413612 0.924880 O\n0.913612 0.759920 0.924880 O\n0.259920 0.413612 0.424880 O\n0.740080 0.586388 0.424880 O\n0.413612 0.259920 0.075120 O\n0.913612 0.240080 0.424880 O\n0.086388 0.759920 0.424880 O\n0.240080 0.913612 0.075120 O\n0.759920 0.086388 0.075120 O\n0.247884 0.053441 0.377345 O\n0.586388 0.740080 0.075120 O\n0.747884 0.553441 0.622655 O\n0.446559 0.252116 0.877345 O\n0.946559 0.247884 0.622655 O\n0.053441 0.752116 0.622655 O\n0.247884 0.946559 0.877345 O\n0.752116 0.053441 0.877345 O\n0.553441 0.747884 0.877345 O\n0.702947 0.702947 0.250000 O\n0.797053 0.202947 0.250000 O\n0.202947 0.797053 0.250000 O\n0.297053 0.297053 0.250000 O\n0.797053 0.797053 0.750000 O\n0.702947 0.297053 0.750000 O\n0.297053 0.702947 0.750000 O\n0.202947 0.202947 0.750000 O\n0.946559 0.752116 0.122655 O\n0.747884 0.446559 0.122655 O\n0.252116 0.553441 0.122655 O\n0.446559 0.747884 0.377345 O\n0.553441 0.252116 0.377345 O\n0.053441 0.247884 0.122655 O\n0.752116 0.946559 0.377345 O\n0.252116 0.446559 0.622655 O\n",
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{
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"structure_string": "Rb1 Cu3 Si1 Se4\n1.0\n6.229104 0.000000 0.000000\n0.000000 6.229104 0.000000\n0.000000 0.000000 6.229104\nRb Cu Si Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Si\n0.209754 0.209754 0.209754 Se\n0.790246 0.790246 0.209754 Se\n0.209754 0.790246 0.790246 Se\n0.790246 0.209754 0.790246 Se\n",
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"formula_full": "Rb1 Cu3 Si1 Se4",
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{
"id": "mp-768813",
"created_at": "2022-09-04T14:42:59.762536Z",
"structure_string": "Rb16 Si4 O16\n1.0\n6.787819 0.000000 0.000000\n0.000000 10.926404 0.000000\n0.000000 4.192251 10.176039\nRb Si O\n16 4 16\ndirect\n0.592415 0.300695 0.064906 Rb\n0.113830 0.417591 0.155257 Rb\n0.907585 0.800695 0.064906 Rb\n0.333024 0.109603 0.368874 Rb\n0.818374 0.206365 0.422646 Rb\n0.386170 0.917591 0.155257 Rb\n0.166976 0.609603 0.368874 Rb\n0.318374 0.293635 0.577354 Rb\n0.681626 0.706365 0.422646 Rb\n0.833024 0.390397 0.631126 Rb\n0.613830 0.082409 0.844743 Rb\n0.181626 0.793635 0.577354 Rb\n0.666976 0.890397 0.631126 Rb\n0.092415 0.199305 0.935094 Rb\n0.886170 0.582409 0.844743 Rb\n0.407585 0.699305 0.935094 Rb\n0.869579 0.010922 0.241424 Si\n0.630421 0.510922 0.241424 Si\n0.369579 0.489078 0.758576 Si\n0.130421 0.989078 0.758576 Si\n0.769668 0.026842 0.097591 O\n0.996902 0.148996 0.219987 O\n0.730332 0.526842 0.097591 O\n0.482253 0.377512 0.298727 O\n0.503098 0.648996 0.219987 O\n0.813213 0.491395 0.350595 O\n0.017747 0.877512 0.298727 O\n0.313213 0.008605 0.649405 O\n0.686787 0.991395 0.350595 O\n0.982253 0.122488 0.701273 O\n0.186787 0.508605 0.649405 O\n0.496902 0.351004 0.780013 O\n0.517747 0.622488 0.701273 O\n0.269668 0.473158 0.902409 O\n0.003098 0.851004 0.780013 O\n0.230332 0.973158 0.902409 O\n",
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{
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"structure_string": "Er6 Pd4\n1.0\n7.726330 0.000000 0.000000\n0.000000 7.726330 0.000000\n0.000000 0.000000 3.940340\nEr Pd\n6 4\ndirect\n0.836272 0.663728 0.500000 Er\n0.336272 0.836272 0.500000 Er\n0.163728 0.336272 0.500000 Er\n0.663728 0.163728 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Er\n0.134541 0.634541 0.000000 Pd\n0.634541 0.865459 0.000000 Pd\n0.365459 0.134541 0.000000 Pd\n0.865459 0.365459 0.000000 Pd\n",
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{
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"structure_string": "Li20 Fe4 O16\n1.0\n9.562704 0.000000 0.000000\n0.000000 5.245375 0.000000\n0.000000 2.288274 8.250464\nLi Fe O\n20 4 16\ndirect\n0.954574 0.250065 0.960537 Li\n0.545426 0.750065 0.960537 Li\n0.186699 0.157692 0.141852 Li\n0.313301 0.657692 0.141852 Li\n0.678536 0.998110 0.151523 Li\n0.821464 0.498110 0.151523 Li\n0.073811 0.425446 0.344820 Li\n0.426189 0.925446 0.344820 Li\n0.802988 0.119681 0.536862 Li\n0.302988 0.380319 0.463138 Li\n0.697012 0.619681 0.536862 Li\n0.197012 0.880319 0.463138 Li\n0.573811 0.074554 0.655180 Li\n0.926189 0.574554 0.655180 Li\n0.178536 0.501890 0.848477 Li\n0.321464 0.001890 0.848477 Li\n0.686699 0.342308 0.858148 Li\n0.813301 0.842308 0.858148 Li\n0.454574 0.249935 0.039463 Li\n0.045426 0.749935 0.039463 Li\n0.547304 0.442753 0.268280 Fe\n0.952696 0.942753 0.268280 Fe\n0.047304 0.057247 0.731720 Fe\n0.452696 0.557247 0.731720 Fe\n0.648169 0.371919 0.089221 O\n0.851831 0.871919 0.089221 O\n0.363024 0.288071 0.258802 O\n0.995068 0.310887 0.176296 O\n0.136976 0.788071 0.258802 O\n0.504932 0.810887 0.176296 O\n0.637279 0.319524 0.465554 O\n0.862721 0.819524 0.465554 O\n0.137279 0.180476 0.534446 O\n0.362721 0.680476 0.534446 O\n0.495068 0.189113 0.823704 O\n0.863024 0.211929 0.741198 O\n0.004932 0.689113 0.823704 O\n0.636976 0.711929 0.741198 O\n0.148169 0.128081 0.910779 O\n0.351831 0.628081 0.910779 O\n",
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"formula_full": "Li20 Fe4 O16",
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{
"id": "mp-1173873",
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"structure_string": "Na16 W19 O57\n1.0\n2.813131 4.846504 0.000000\n-2.813131 4.846504 0.000000\n0.000000 3.319053 43.385837\nNa W O\n16 19 57\ndirect\n0.315849 0.315849 0.052687 Na\n0.630761 0.630761 0.105857 Na\n0.263408 0.263408 0.209996 Na\n0.578766 0.578766 0.262925 Na\n0.211610 0.211610 0.367746 Na\n0.526144 0.526144 0.420521 Na\n0.841814 0.841814 0.473710 Na\n0.157148 0.157148 0.526246 Na\n0.474261 0.474261 0.578880 Na\n0.789834 0.789834 0.631669 Na\n0.105619 0.105619 0.683966 Na\n0.421343 0.421343 0.736852 Na\n0.736370 0.736370 0.789709 Na\n0.052558 0.052558 0.842316 Na\n0.368057 0.368057 0.895149 Na\n0.683980 0.683980 0.947998 Na\n0.658153 0.658153 0.025927 W\n0.972470 0.972470 0.078856 W\n0.288815 0.288815 0.132409 W\n0.606640 0.606640 0.183359 W\n0.921072 0.921072 0.236728 W\n0.236801 0.236801 0.289656 W\n0.554193 0.554193 0.340829 W\n0.868824 0.868824 0.393538 W\n0.184164 0.184164 0.446795 W\n0.500882 0.500882 0.499799 W\n0.814272 0.814272 0.552591 W\n0.132014 0.132014 0.605184 W\n0.447623 0.447623 0.657854 W\n0.763435 0.763435 0.710485 W\n0.079859 0.079859 0.763285 W\n0.393221 0.393221 0.816120 W\n0.710334 0.710334 0.869025 W\n0.026086 0.026086 0.922178 W\n0.341264 0.341264 0.974657 W\n0.004217 0.494851 0.000291 O\n0.494851 0.004217 0.000291 O\n0.496366 0.496366 0.999690 O\n0.316340 0.822211 0.053281 O\n0.822211 0.316340 0.053281 O\n0.818441 0.818441 0.053534 O\n0.636566 0.132764 0.103748 O\n0.132764 0.636566 0.103748 O\n0.136759 0.136759 0.104304 O\n0.439203 0.944608 0.158847 O\n0.944608 0.439203 0.158847 O\n0.443811 0.443811 0.156752 O\n0.760280 0.262518 0.211772 O\n0.262518 0.760280 0.211772 O\n0.763144 0.763144 0.211863 O\n0.075907 0.580220 0.262589 O\n0.580220 0.075907 0.262589 O\n0.078262 0.078262 0.261937 O\n0.401186 0.890522 0.315298 O\n0.890522 0.401186 0.315298 O\n0.398233 0.398233 0.316311 O\n0.712882 0.217112 0.367985 O\n0.217112 0.712882 0.367985 O\n0.705276 0.705276 0.367984 O\n0.023552 0.532805 0.420270 O\n0.532805 0.023552 0.420270 O\n0.030941 0.030941 0.420843 O\n0.342420 0.835681 0.473357 O\n0.835681 0.342420 0.473357 O\n0.337359 0.337359 0.472876 O\n0.649973 0.161100 0.526836 O\n0.161100 0.649973 0.526836 O\n0.657993 0.657993 0.526173 O\n0.978699 0.477750 0.578561 O\n0.477750 0.978699 0.578561 O\n0.978801 0.978801 0.579311 O\n0.289246 0.787113 0.632038 O\n0.787113 0.289246 0.632038 O\n0.285939 0.285939 0.631060 O\n0.607273 0.108041 0.683569 O\n0.108041 0.607273 0.683569 O\n0.609107 0.609107 0.684721 O\n0.921784 0.414399 0.736847 O\n0.414399 0.921784 0.736847 O\n0.916107 0.916107 0.736425 O\n0.230545 0.739049 0.790106 O\n0.739049 0.230545 0.790106 O\n0.236872 0.236872 0.789547 O\n0.556869 0.056354 0.842137 O\n0.056354 0.556869 0.842137 O\n0.557525 0.557525 0.842860 O\n0.863555 0.365000 0.896096 O\n0.365000 0.863555 0.896096 O\n0.863359 0.863359 0.894993 O\n0.188826 0.675078 0.947291 O\n0.675078 0.188826 0.947291 O\n0.189458 0.189458 0.947789 O\n",
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