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{
"id": "mp-1216887",
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"structure_string": "V12 Ga2 Ge1 S24\n1.0\n-3.434387 4.853652 10.299506\n3.434387 -4.853652 10.299506\n3.434387 4.853652 -10.299506\nV Ga Ge S\n12 2 1 24\ndirect\n0.938382 0.123625 0.395685 V\n0.272060 0.457303 0.395685 V\n0.604301 0.789796 0.394097 V\n0.797907 0.402747 0.395160 V\n0.131321 0.736902 0.394419 V\n0.465724 0.070126 0.395598 V\n0.657517 0.263098 0.394419 V\n0.992413 0.597253 0.395160 V\n0.325472 0.929874 0.395598 V\n0.938382 0.542697 0.814756 V\n0.272060 0.876375 0.814756 V\n0.604301 0.210204 0.814505 V\n0.333123 0.333298 0.999824 Ga\n0.666526 0.666702 0.999824 Ga\n0.000325 0.000000 0.000325 Ge\n0.704064 0.591950 0.629645 S\n0.037695 0.925581 0.629645 S\n0.370846 0.258817 0.629663 S\n0.875975 0.247004 0.628971 S\n0.209689 0.580490 0.629199 S\n0.542944 0.913737 0.629207 S\n0.048708 0.419510 0.629199 S\n0.381967 0.752996 0.628971 S\n0.715470 0.086263 0.629207 S\n0.704064 0.074419 0.112114 S\n0.037695 0.408050 0.112114 S\n0.370846 0.741183 0.112029 S\n0.196387 0.607230 0.136702 S\n0.529472 0.940315 0.136702 S\n0.864155 0.272165 0.136320 S\n0.045366 0.909462 0.135904 S\n0.378753 0.242008 0.136745 S\n0.712742 0.575281 0.137461 S\n0.894736 0.757992 0.136745 S\n0.226442 0.090538 0.135904 S\n0.562180 0.424719 0.137461 S\n0.196387 0.059685 0.589157 S\n0.529472 0.392770 0.589157 S\n0.864155 0.727835 0.591990 S\n",
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{
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{
"id": "mp-793779",
"created_at": "2022-09-04T14:43:48.686846Z",
"structure_string": "Li4 Fe3 Co3 Sn2 O16\n1.0\n2.986491 5.139622 0.000000\n-2.986491 5.139622 0.000000\n0.000000 0.114426 9.789891\nLi Fe Co Sn O\n4 3 3 2 16\ndirect\n0.664954 0.664954 0.105009 Li\n0.002979 0.002979 0.005100 Li\n0.002275 0.002275 0.506474 Li\n0.331655 0.331655 0.606225 Li\n0.830779 0.830779 0.786431 Fe\n0.170328 0.661901 0.285641 Fe\n0.661901 0.170328 0.285641 Fe\n0.338726 0.832810 0.785602 Co\n0.832810 0.338726 0.785602 Co\n0.169932 0.169932 0.285802 Co\n0.666093 0.666093 0.510152 Sn\n0.333513 0.333513 0.009897 Sn\n0.323554 0.840871 0.399573 O\n0.516116 0.516116 0.663412 O\n0.661374 0.661374 0.891427 O\n0.003597 0.003597 0.693360 O\n0.004430 0.004430 0.192042 O\n0.840871 0.323554 0.399573 O\n0.511342 0.964881 0.662264 O\n0.964881 0.511342 0.662264 O\n0.162849 0.162849 0.895899 O\n0.839544 0.839544 0.401862 O\n0.033370 0.477855 0.161031 O\n0.477855 0.033370 0.161031 O\n0.329884 0.329884 0.393262 O\n0.162922 0.678666 0.899619 O\n0.482663 0.482663 0.159183 O\n0.678666 0.162922 0.899619 O\n",
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"formula_full": "Li4 Fe3 Co3 Sn2 O16",
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"spacegroup": 8
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{
"id": "mp-578611",
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"structure_string": "Na1 Ni1 O2\n1.0\n2.913657 0.012578 4.762843\n1.350858 2.581398 4.762821\n0.021364 0.012957 5.582740\nNa Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.268037 0.268005 0.267891 O\n0.731963 0.731995 0.732109 O\n",
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"spacegroup": 166
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{
"id": "mp-1223274",
"created_at": "2022-09-04T14:43:48.109296Z",
"structure_string": "La2 Bi2 S4 O1 F1\n1.0\n4.109577 0.000000 0.000000\n0.000000 4.109577 0.000000\n0.000000 0.000000 13.150136\nLa Bi S O F\n2 2 4 1 1\ndirect\n0.500000 0.000000 0.106034 La\n0.000000 0.500000 0.893966 La\n0.500000 0.000000 0.616493 Bi\n0.000000 0.500000 0.383507 Bi\n0.500000 0.000000 0.378107 S\n0.000000 0.500000 0.621893 S\n0.500000 0.000000 0.816653 S\n0.000000 0.500000 0.183347 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 F\n",
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"spacegroup": 115
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{
"id": "mp-950",
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"structure_string": "Na2 Zn26\n1.0\n0.000000 6.147655 6.147655\n6.147655 0.000000 6.147655\n6.147655 6.147655 0.000000\nNa Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.439325 0.199710 0.800290 Zn\n0.939325 0.699710 0.060675 Zn\n0.699710 0.939325 0.300290 Zn\n0.300290 0.699710 0.939325 Zn\n0.939325 0.060675 0.300290 Zn\n0.699710 0.060675 0.939325 Zn\n0.300290 0.939325 0.060675 Zn\n0.800290 0.439325 0.199710 Zn\n0.199710 0.800290 0.439325 Zn\n0.439325 0.560675 0.199710 Zn\n0.439325 0.800290 0.560675 Zn\n0.199710 0.560675 0.800290 Zn\n0.560675 0.439325 0.800290 Zn\n0.560675 0.199710 0.439325 Zn\n0.800290 0.199710 0.560675 Zn\n0.060675 0.939325 0.699710 Zn\n0.060675 0.300290 0.939325 Zn\n0.939325 0.300290 0.699710 Zn\n0.060675 0.699710 0.300290 Zn\n0.300290 0.060675 0.699710 Zn\n0.699710 0.300290 0.060675 Zn\n0.199710 0.439325 0.560675 Zn\n0.800290 0.560675 0.439325 Zn\n0.560675 0.800290 0.199710 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "mp-570872",
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"structure_string": "Ce3 Co9\n1.0\n8.451823 -2.447026 0.000000\n8.451823 2.447026 0.000000\n7.743344 0.000000 4.178740\nCe Co\n3 9\ndirect\n0.861083 0.861083 0.861083 Ce\n0.138917 0.138917 0.138917 Ce\n0.000000 0.000000 0.000000 Ce\n0.331896 0.331896 0.331896 Co\n0.420662 0.420662 0.916942 Co\n0.579338 0.579338 0.083058 Co\n0.668104 0.668104 0.668104 Co\n0.083058 0.579338 0.579338 Co\n0.420662 0.916942 0.420662 Co\n0.916942 0.420662 0.420662 Co\n0.500000 0.500000 0.500000 Co\n0.579338 0.083058 0.579338 Co\n",
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{
"id": "mp-758328",
"created_at": "2022-09-04T14:43:48.467798Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n-5.969091 0.000000 0.000000\n1.573676 7.638117 0.000000\n-0.129231 -3.438647 -9.515994\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.920731 0.156744 0.503158 Li\n0.079269 0.843256 0.496842 Li\n0.920614 0.168164 0.003000 Mn\n0.579228 0.831939 0.996583 Mn\n0.748686 0.498708 0.998649 Mn\n0.420772 0.168061 0.003417 Mn\n0.079386 0.831836 0.997000 Mn\n0.251314 0.501292 0.001351 Mn\n0.586404 0.836799 0.496805 Al\n0.756204 0.501671 0.501266 Al\n0.413596 0.163201 0.503195 Al\n0.243796 0.498329 0.498734 Al\n0.998720 0.498532 0.711634 H\n0.812125 0.843801 0.289197 H\n0.001280 0.501468 0.288366 H\n0.644131 0.139413 0.709511 H\n0.812818 0.805846 0.703084 H\n0.662448 0.193125 0.300784 H\n0.492391 0.487690 0.709679 H\n0.355869 0.860587 0.290489 H\n0.507609 0.512310 0.290321 H\n0.187875 0.156199 0.710803 H\n0.337552 0.806875 0.699216 H\n0.187182 0.194154 0.296916 H\n0.849558 0.899593 0.897003 O\n0.007787 0.570252 0.892793 O\n0.989410 0.462583 0.607407 O\n0.828092 0.882805 0.391867 O\n0.992213 0.429748 0.107207 O\n0.010590 0.537417 0.392593 O\n0.629008 0.093376 0.606602 O\n0.677243 0.229728 0.897283 O\n0.792471 0.758057 0.600434 O\n0.665119 0.245446 0.404829 O\n0.811474 0.770433 0.098850 O\n0.644038 0.098186 0.104255 O\n0.505929 0.570677 0.890959 O\n0.485894 0.438376 0.604866 O\n0.355962 0.901814 0.895745 O\n0.514106 0.561624 0.395134 O\n0.494071 0.429323 0.109041 O\n0.370992 0.906624 0.393398 O\n0.188526 0.229567 0.901150 O\n0.171908 0.117195 0.608133 O\n0.334881 0.754554 0.595171 O\n0.207529 0.241943 0.399566 O\n0.150442 0.100407 0.102997 O\n0.322757 0.770272 0.102717 O\n",
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"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
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{
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"structure_string": "N4 Cl4 O16\n1.0\n5.737071 0.000000 0.000000\n0.000000 7.473922 0.000000\n0.000000 0.000000 9.040956\nN Cl O\n4 4 16\ndirect\n0.750000 0.824553 0.680244 N\n0.750000 0.675447 0.180244 N\n0.250000 0.175447 0.319756 N\n0.250000 0.324553 0.819756 N\n0.250000 0.807311 0.931203 Cl\n0.250000 0.692689 0.431203 Cl\n0.750000 0.192689 0.068797 Cl\n0.750000 0.307311 0.568797 Cl\n0.460087 0.696174 0.919175 O\n0.039913 0.803826 0.419175 O\n0.960087 0.303826 0.080825 O\n0.539913 0.196174 0.580825 O\n0.539913 0.303826 0.080825 O\n0.960087 0.196174 0.580825 O\n0.039913 0.696174 0.919175 O\n0.460087 0.803826 0.419175 O\n0.250000 0.897048 0.073558 O\n0.250000 0.602952 0.573558 O\n0.750000 0.102952 0.926442 O\n0.750000 0.397048 0.426442 O\n0.250000 0.936485 0.810925 O\n0.250000 0.563515 0.310925 O\n0.750000 0.063515 0.189075 O\n0.750000 0.436485 0.689075 O\n",
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{
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"structure_string": "Zr2 Si7 Ni3\n1.0\n3.911627 0.000000 0.000000\n0.000000 3.911627 0.000000\n1.955814 1.955814 11.637395\nZr Si Ni\n2 7 3\ndirect\n0.141875 0.141875 0.716251 Zr\n0.849795 0.849795 0.300410 Zr\n0.548135 0.048135 0.903729 Si\n0.048135 0.548135 0.903729 Si\n0.446226 0.946226 0.107548 Si\n0.946226 0.446226 0.107548 Si\n0.605871 0.605871 0.788258 Si\n0.304251 0.304251 0.391497 Si\n0.704791 0.704791 0.590418 Si\n0.751761 0.251761 0.496477 Ni\n0.251761 0.751761 0.496477 Ni\n0.401171 0.401171 0.197657 Ni\n",
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}