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{
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{
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"formula_full": "Li7 Mn2 Co3 O12",
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{
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"structure_string": "Mg3 Bi2 As2 O12\n1.0\n5.482211 0.000000 0.000000\n0.000000 7.392152 0.000000\n0.000000 3.204888 6.818954\nMg Bi As O\n3 2 2 12\ndirect\n0.500000 0.277911 0.900151 Mg\n0.000000 0.722192 0.096448 Mg\n0.500000 0.892223 0.290283 Mg\n0.000000 0.592923 0.587999 Bi\n0.500000 0.403391 0.409067 Bi\n0.000000 0.198194 0.193780 As\n0.500000 0.799411 0.803767 As\n0.254636 0.878664 0.892776 O\n0.000000 0.089792 0.445743 O\n0.249052 0.669327 0.327236 O\n0.000000 0.451945 0.091844 O\n0.740035 0.115807 0.120224 O\n0.266651 0.345003 0.668766 O\n0.750948 0.669327 0.327236 O\n0.500000 0.544341 0.899658 O\n0.733349 0.345003 0.668766 O\n0.745364 0.878664 0.892776 O\n0.259965 0.115807 0.120224 O\n0.500000 0.906324 0.551720 O\n",
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"formula_full": "Mg3 Bi2 As2 O12",
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{
"id": "mp-758442",
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"structure_string": "Fe6 O6 F6\n1.0\n3.112671 0.000000 0.000000\n0.000000 4.921895 0.000000\n0.000000 0.011787 14.514250\nFe O F\n6 6 6\ndirect\n0.000000 0.973163 0.993818 Fe\n0.000000 0.979803 0.663468 Fe\n0.000000 0.968059 0.331923 Fe\n0.500000 0.482972 0.851407 Fe\n0.500000 0.552432 0.501248 Fe\n0.500000 0.552439 0.163855 Fe\n0.500000 0.816182 0.393639 O\n0.500000 0.815439 0.061890 O\n0.000000 0.661268 0.899498 O\n0.000000 0.713619 0.224896 O\n0.000000 0.694149 0.564601 O\n0.500000 0.170513 0.937149 O\n0.500000 0.785478 0.738903 F\n0.000000 0.284275 0.767243 F\n0.000000 0.312009 0.434896 F\n0.000000 0.318978 0.103589 F\n0.500000 0.205299 0.600724 F\n0.500000 0.213925 0.267255 F\n",
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{
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"created_at": "2022-09-04T14:42:24.841596Z",
"structure_string": "Na5 Ni2 P2 C2 O14\n1.0\n6.668408 0.000000 0.000000\n0.000000 5.187968 0.000000\n0.000000 0.250814 8.824414\nNa Ni P C O\n5 2 2 2 14\ndirect\n0.262977 0.253923 0.265881 Na\n0.737023 0.253923 0.265881 Na\n0.759166 0.745638 0.732349 Na\n0.240834 0.745638 0.732349 Na\n0.000000 0.222694 0.919815 Na\n0.000000 0.777416 0.345930 Ni\n0.500000 0.221633 0.654368 Ni\n0.500000 0.721386 0.419245 P\n0.000000 0.282160 0.582807 P\n0.000000 0.711245 0.063378 C\n0.500000 0.287637 0.931752 C\n0.500000 0.316832 0.073193 O\n0.000000 0.936771 0.122960 O\n0.000000 0.510943 0.155835 O\n0.312308 0.788216 0.324246 O\n0.687692 0.788216 0.324246 O\n0.000000 0.142285 0.431119 O\n0.500000 0.423876 0.459142 O\n0.000000 0.579094 0.548910 O\n0.500000 0.864786 0.571512 O\n0.814970 0.210357 0.682879 O\n0.185030 0.210357 0.682879 O\n0.500000 0.480279 0.833488 O\n0.500000 0.061695 0.872169 O\n0.000000 0.686053 0.918623 O\n",
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{
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"structure_string": "Fe8 O8 F8\n1.0\n12.264875 0.000000 0.000000\n0.000000 4.753310 0.000000\n0.000000 0.007513 4.768363\nFe O F\n8 8 8\ndirect\n0.125369 0.952587 0.007976 Fe\n0.375526 0.027646 0.970697 Fe\n0.624474 0.027646 0.970697 Fe\n0.874631 0.952587 0.007976 Fe\n0.500000 0.445226 0.480843 Fe\n0.000000 0.538368 0.498510 Fe\n0.250373 0.527260 0.526011 Fe\n0.749627 0.527260 0.526011 Fe\n0.253611 0.812123 0.816228 O\n0.746389 0.812123 0.816228 O\n0.000000 0.799069 0.818656 O\n0.871408 0.688849 0.320498 O\n0.128592 0.688849 0.320498 O\n0.373046 0.310565 0.677997 O\n0.626954 0.310565 0.677997 O\n0.500000 0.182762 0.169461 O\n0.500000 0.801125 0.780246 F\n0.377608 0.699831 0.293769 F\n0.622392 0.699831 0.293769 F\n0.876044 0.299903 0.709815 F\n0.123956 0.299903 0.709815 F\n0.751397 0.202310 0.198836 F\n0.000000 0.191303 0.208632 F\n0.248603 0.202310 0.198836 F\n",
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{
"id": "mp-769541",
"created_at": "2022-09-04T14:42:25.205227Z",
"structure_string": "Li8 Ti6 Co12 O36\n1.0\n2.876560 0.000000 0.000000\n0.000000 8.821422 0.000000\n0.000000 0.017957 24.642597\nLi Ti Co O\n8 6 12 36\ndirect\n0.500000 0.812998 0.993267 Li\n0.500000 0.809118 0.208869 Li\n0.500000 0.691159 0.708376 Li\n0.500000 0.683994 0.493451 Li\n0.500000 0.321794 0.503074 Li\n0.500000 0.310972 0.295994 Li\n0.500000 0.188206 0.795791 Li\n0.500000 0.181314 0.002340 Li\n0.500000 0.985856 0.103674 Ti\n0.500000 0.516927 0.603224 Ti\n0.500000 0.489061 0.394907 Ti\n0.000000 0.349238 0.695033 Ti\n0.000000 0.150662 0.195550 Ti\n0.500000 0.001918 0.893019 Ti\n0.500000 0.003522 0.500884 Co\n0.500000 0.969397 0.312412 Co\n0.000000 0.870360 0.585924 Co\n0.000000 0.853113 0.805100 Co\n0.000000 0.648001 0.305143 Co\n0.000000 0.630283 0.086149 Co\n0.500000 0.530916 0.811895 Co\n0.500000 0.497142 0.000801 Co\n0.500000 0.488877 0.190623 Co\n0.000000 0.366705 0.914367 Co\n0.000000 0.131507 0.414579 Co\n0.500000 0.009712 0.691427 Co\n0.500000 0.996114 0.425981 O\n0.500000 0.007095 0.575746 O\n0.000000 0.954820 0.941621 O\n0.000000 0.942344 0.161551 O\n0.000000 0.896787 0.661807 O\n0.500000 0.886944 0.757990 O\n0.000000 0.859857 0.507632 O\n0.000000 0.850089 0.281810 O\n0.500000 0.812189 0.854765 O\n0.500000 0.772883 0.086629 O\n0.500000 0.725055 0.586155 O\n0.500000 0.688091 0.353577 O\n0.000000 0.648682 0.781932 O\n0.000000 0.641593 0.009136 O\n0.500000 0.612422 0.257975 O\n0.000000 0.604336 0.160708 O\n0.000000 0.556998 0.661600 O\n0.000000 0.547742 0.441398 O\n0.500000 0.494411 0.077701 O\n0.500000 0.502430 0.924548 O\n0.000000 0.460896 0.555926 O\n0.000000 0.448903 0.336211 O\n0.000000 0.414560 0.841438 O\n0.500000 0.390021 0.746197 O\n0.000000 0.351621 0.991157 O\n0.000000 0.362308 0.216511 O\n0.500000 0.316087 0.643006 O\n0.500000 0.280110 0.411000 O\n0.500000 0.224400 0.911227 O\n0.500000 0.183403 0.142537 O\n0.000000 0.136928 0.716606 O\n0.000000 0.147824 0.492773 O\n0.500000 0.109648 0.245549 O\n0.000000 0.086567 0.340515 O\n0.000000 0.055183 0.836875 O\n0.000000 0.037908 0.056338 O\n",
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"formula_full": "Li8 Ti6 Co12 O36",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.905470 0.000000 0.000000\n0.000000 10.267562 0.000000\n0.000000 3.548049 9.714438\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.991697 0.756516 Li\n0.500000 0.999216 0.246777 Li\n0.000000 0.743068 0.752156 Li\n0.000000 0.746456 0.246195 Li\n0.500000 0.504286 0.765530 Li\n0.500000 0.503324 0.232189 Li\n0.000000 0.254373 0.756400 Li\n0.000000 0.254997 0.244019 Li\n0.000000 0.500681 0.999963 Li\n0.000000 0.000221 0.999742 Mn\n0.500000 0.249805 0.501795 Mn\n0.000000 0.997578 0.500400 Co\n0.500000 0.732221 0.992856 Co\n0.500000 0.753015 0.498142 Co\n0.000000 0.504539 0.500408 Co\n0.500000 0.268041 0.007325 Co\n0.500000 0.109270 0.887327 O\n0.500000 0.125665 0.394621 O\n0.000000 0.876868 0.892891 O\n0.000000 0.866178 0.379721 O\n0.500000 0.636440 0.877749 O\n0.500000 0.615069 0.387088 O\n0.000000 0.363648 0.881959 O\n0.000000 0.360800 0.390806 O\n0.500000 0.879901 0.613346 O\n0.500000 0.891186 0.110611 O\n0.000000 0.629255 0.613509 O\n0.000000 0.636205 0.118158 O\n0.500000 0.375300 0.607327 O\n0.500000 0.363543 0.123364 O\n0.000000 0.142559 0.614263 O\n0.000000 0.124597 0.106845 O\n",
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{
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