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{
"id": "mp-1223659",
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"structure_string": "K2 Ba2 Fe8 Se12\n1.0\n5.461338 0.000000 0.000000\n0.000000 9.214929 0.000000\n0.000000 0.000000 12.186374\nK Ba Fe Se\n2 2 8 12\ndirect\n0.000000 0.751290 0.672531 K\n0.000000 0.248710 0.172531 K\n0.500000 0.752010 0.326167 Ba\n0.500000 0.247990 0.826167 Ba\n0.748342 0.889637 0.997553 Fe\n0.251658 0.110363 0.497553 Fe\n0.254508 0.610601 0.002034 Fe\n0.745492 0.389399 0.502034 Fe\n0.745492 0.610601 0.002034 Fe\n0.254508 0.389399 0.502034 Fe\n0.251658 0.889637 0.997553 Fe\n0.748342 0.110363 0.497553 Fe\n0.000000 0.456429 0.889975 Se\n0.000000 0.543571 0.389975 Se\n0.500000 0.039113 0.111797 Se\n0.500000 0.960887 0.611797 Se\n0.000000 0.030661 0.875521 Se\n0.000000 0.969339 0.375521 Se\n0.500000 0.475127 0.125988 Se\n0.500000 0.524873 0.625988 Se\n0.000000 0.751962 0.128987 Se\n0.000000 0.248038 0.628987 Se\n0.500000 0.748132 0.869860 Se\n0.500000 0.251868 0.369860 Se\n",
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{
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"formula_full": "Fe6 O10 F2",
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{
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"structure_string": "Np8 Se20\n1.0\n-7.725383 0.000000 0.000000\n0.000000 0.000000 -7.741731\n0.000000 -10.728967 0.000000\nNp Se\n8 20\ndirect\n0.753594 0.499476 0.151497 Np\n0.746406 0.999476 0.348503 Np\n0.253594 0.500524 0.348503 Np\n0.246406 0.000524 0.151497 Np\n0.246406 0.500524 0.848503 Np\n0.253594 0.000524 0.651497 Np\n0.746406 0.499476 0.651497 Np\n0.753594 0.999476 0.848503 Np\n0.623372 0.126593 0.603563 Se\n0.876628 0.626593 0.896437 Se\n0.123372 0.873407 0.896437 Se\n0.376628 0.373407 0.603563 Se\n0.376628 0.873407 0.396437 Se\n0.123372 0.373407 0.103563 Se\n0.876628 0.126593 0.103563 Se\n0.623372 0.626593 0.396437 Se\n0.120220 0.629831 0.601487 Se\n0.379780 0.129831 0.898513 Se\n0.620220 0.370169 0.898513 Se\n0.879780 0.870169 0.601487 Se\n0.879780 0.370169 0.398513 Se\n0.620220 0.870169 0.101487 Se\n0.379780 0.629831 0.101487 Se\n0.120220 0.129831 0.398513 Se\n0.000000 0.250000 0.748212 Se\n0.500000 0.750000 0.751788 Se\n0.000000 0.750000 0.251788 Se\n0.500000 0.250000 0.248212 Se\n",
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"spacegroup": 60
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{
"id": "mp-1175204",
"created_at": "2022-09-04T14:46:02.509689Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n0.136939 -0.114422 5.102234\n5.875999 0.283099 -0.231414\n1.948268 14.561854 0.484324\nLi Mn Co O\n14 8 2 24\ndirect\n0.157603 0.091664 0.332252 Li\n0.175622 0.574996 0.334392 Li\n0.662549 0.085184 0.833121 Li\n0.670894 0.581538 0.833499 Li\n0.166668 0.333331 0.833331 Li\n0.166698 0.833322 0.833331 Li\n0.348139 0.408092 0.171323 Li\n0.350745 0.913016 0.167980 Li\n0.985156 0.258547 0.495306 Li\n0.982454 0.753614 0.498691 Li\n0.839291 0.412104 0.673397 Li\n0.847666 0.900996 0.675761 Li\n0.494058 0.254583 0.993248 Li\n0.485795 0.765703 0.990893 Li\n0.005848 0.009650 0.993067 Mn\n0.010673 0.507291 0.993455 Mn\n0.322816 0.159303 0.673254 Mn\n0.327588 0.657083 0.673604 Mn\n0.839175 0.169658 0.165612 Mn\n0.835867 0.668977 0.166430 Mn\n0.497376 0.997668 0.500241 Mn\n0.494084 0.496933 0.501081 Mn\n0.666585 0.833326 0.333345 Co\n0.666608 0.333337 0.333336 Co\n0.138053 0.221502 0.074700 O\n0.135954 0.722781 0.074353 O\n0.195257 0.445177 0.592000 O\n0.197414 0.943922 0.592344 O\n0.005335 0.357021 0.243679 O\n0.993983 0.891800 0.236096 O\n0.327938 0.309618 0.422997 O\n0.339162 0.774794 0.430599 O\n0.807549 0.039161 0.421405 O\n0.798313 0.541602 0.424199 O\n0.534900 0.125032 0.242464 O\n0.525720 0.627497 0.245271 O\n0.630056 0.215093 0.577205 O\n0.639337 0.681804 0.585555 O\n0.703272 0.451616 0.089445 O\n0.693967 0.984893 0.081088 O\n0.480911 0.376099 0.741928 O\n0.486108 0.881650 0.739328 O\n0.852567 0.290607 0.924739 O\n0.847342 0.785034 0.927318 O\n0.307285 0.040434 0.923166 O\n0.311194 0.540671 0.925207 O\n0.022266 0.126047 0.741449 O\n0.026158 0.626226 0.743513 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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{
"id": "mp-755423",
"created_at": "2022-09-04T14:42:49.239306Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.641628 0.000000 0.000000\n0.000000 4.649259 0.000000\n0.000000 0.000000 9.018041\nFe O F\n6 10 2\ndirect\n0.010705 0.747878 0.672744 Fe\n0.982496 0.728195 0.000000 Fe\n0.010705 0.747878 0.327256 Fe\n0.510705 0.252122 0.827256 Fe\n0.482496 0.271805 0.500000 Fe\n0.510705 0.252122 0.172744 Fe\n0.193976 0.549180 0.839531 O\n0.193976 0.549180 0.160469 O\n0.186628 0.575855 0.500000 O\n0.693976 0.450820 0.660469 O\n0.686628 0.424145 0.000000 O\n0.693976 0.450820 0.339531 O\n0.308575 0.063793 0.662675 O\n0.308575 0.063793 0.337325 O\n0.808575 0.936207 0.837325 O\n0.808575 0.936207 0.162675 O\n0.301776 0.043609 0.000000 F\n0.801776 0.956391 0.500000 F\n",
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{
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"structure_string": "Fe6 O10 F2\n1.0\n3.210981 4.526527 0.000000\n-3.210981 4.526527 0.000000\n0.000000 2.932923 6.688947\nFe O F\n6 10 2\ndirect\n0.669607 0.669607 0.835858 Fe\n0.348378 0.348378 0.670912 Fe\n0.651622 0.651622 0.329088 Fe\n0.330393 0.330393 0.164142 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.645961 0.030298 0.669389 O\n0.969702 0.354039 0.330611 O\n0.228353 0.228353 0.958409 O\n0.575060 0.575060 0.620995 O\n0.771647 0.771647 0.041591 O\n0.424940 0.424940 0.379005 O\n0.354039 0.969702 0.330611 O\n0.030298 0.645961 0.669389 O\n0.695199 0.304801 0.000000 O\n0.304801 0.695199 0.000000 O\n0.893963 0.893963 0.302210 F\n0.106037 0.106037 0.697790 F\n",
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{
"id": "mp-774577",
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"structure_string": "Li8 Ti8 V2 Cr8 O36\n1.0\n2.961660 0.000000 0.000000\n0.000000 9.147920 0.000000\n0.000000 0.000000 24.808309\nLi Ti V Cr O\n8 8 2 8 36\ndirect\n0.000000 0.191848 0.988221 Li\n0.000000 0.203479 0.189465 Li\n0.000000 0.296521 0.689465 Li\n0.000000 0.308152 0.488221 Li\n0.000000 0.691848 0.511779 Li\n0.000000 0.703479 0.310535 Li\n0.000000 0.796521 0.810535 Li\n0.000000 0.808152 0.011779 Li\n0.000000 0.996793 0.101908 Ti\n0.500000 0.158547 0.804703 Ti\n0.500000 0.341453 0.304703 Ti\n0.000000 0.503207 0.601908 Ti\n0.000000 0.496793 0.398092 Ti\n0.500000 0.658547 0.695297 Ti\n0.500000 0.841453 0.195297 Ti\n0.000000 0.003207 0.898092 Ti\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.002876 0.312354 Cr\n0.500000 0.155840 0.584490 Cr\n0.500000 0.344160 0.084490 Cr\n0.000000 0.497124 0.812354 Cr\n0.000000 0.502876 0.187646 Cr\n0.500000 0.655840 0.915510 Cr\n0.500000 0.844160 0.415510 Cr\n0.000000 0.997124 0.687646 Cr\n0.000000 0.991754 0.423232 O\n0.000000 0.008246 0.576768 O\n0.500000 0.065761 0.942088 O\n0.500000 0.042256 0.158107 O\n0.500000 0.129863 0.663419 O\n0.000000 0.107675 0.754872 O\n0.500000 0.147628 0.502209 O\n0.500000 0.136644 0.289683 O\n0.000000 0.188988 0.854734 O\n0.000000 0.197070 0.081624 O\n0.000000 0.302930 0.581624 O\n0.000000 0.311012 0.354734 O\n0.500000 0.363356 0.789683 O\n0.500000 0.352372 0.002209 O\n0.000000 0.392325 0.254872 O\n0.500000 0.370137 0.163419 O\n0.500000 0.457744 0.658107 O\n0.500000 0.434239 0.442088 O\n0.000000 0.491754 0.076768 O\n0.000000 0.508246 0.923232 O\n0.500000 0.565761 0.557912 O\n0.500000 0.542256 0.341893 O\n0.500000 0.629863 0.836581 O\n0.000000 0.607675 0.745128 O\n0.500000 0.647628 0.997791 O\n0.500000 0.636644 0.210317 O\n0.000000 0.688988 0.645266 O\n0.000000 0.697070 0.418376 O\n0.000000 0.802930 0.918376 O\n0.000000 0.811012 0.145266 O\n0.500000 0.863356 0.710317 O\n0.500000 0.852372 0.497791 O\n0.000000 0.892325 0.245128 O\n0.500000 0.870137 0.336581 O\n0.500000 0.957744 0.841893 O\n0.500000 0.934239 0.057912 O\n",
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{
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{
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