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{
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"structure_string": "K4 Y4 H56 C48 O72\n1.0\n8.364172 0.000000 -0.070200\n-0.014452 -0.000000 12.110948\n4.182086 -18.971483 -0.035099\nK Y H C O\n4 4 56 48 72\ndirect\n0.059557 0.750000 0.880886 K\n0.940443 0.250000 0.119114 K\n0.439867 0.750000 0.120266 K\n0.560133 0.250000 0.879734 K\n0.174614 0.750000 0.650773 Y\n0.825386 0.250000 0.349227 Y\n0.323176 0.750000 0.353649 Y\n0.676824 0.250000 0.646351 Y\n0.248719 0.874790 0.000116 H\n0.751165 0.625210 0.000116 H\n0.751281 0.125210 0.999884 H\n0.248835 0.374790 0.999884 H\n0.747357 0.888420 0.001733 H\n0.250910 0.611580 0.001733 H\n0.252643 0.111580 0.998267 H\n0.749090 0.388420 0.998267 H\n0.941359 0.895180 0.754520 H\n0.304121 0.604820 0.754520 H\n0.058641 0.104820 0.245480 H\n0.695879 0.395180 0.245480 H\n0.121726 0.942042 0.751002 H\n0.127272 0.557958 0.751002 H\n0.878274 0.057958 0.248998 H\n0.872728 0.442042 0.248998 H\n0.830299 0.652312 0.668520 H\n0.501181 0.847688 0.668520 H\n0.169701 0.347688 0.331480 H\n0.498819 0.152312 0.331480 H\n0.868372 0.658570 0.747058 H\n0.384570 0.841430 0.747058 H\n0.131628 0.341430 0.252942 H\n0.615430 0.158570 0.252942 H\n0.039560 0.955203 0.591045 H\n0.369395 0.544797 0.591045 H\n0.960440 0.044797 0.408955 H\n0.630605 0.455203 0.408955 H\n0.877318 0.881282 0.612301 H\n0.510381 0.618718 0.612301 H\n0.122682 0.118718 0.387699 H\n0.489619 0.381282 0.387699 H\n0.186558 0.605739 0.249732 H\n0.563709 0.894261 0.249732 H\n0.813442 0.394261 0.750267 H\n0.436291 0.105739 0.750267 H\n0.355363 0.552474 0.257244 H\n0.387393 0.947526 0.257244 H\n0.644637 0.447526 0.742756 H\n0.612607 0.052474 0.742756 H\n0.218398 0.859150 0.492046 H\n0.289556 0.640850 0.492046 H\n0.781602 0.140850 0.507954 H\n0.710444 0.359150 0.507954 H\n0.060446 0.871841 0.457164 H\n0.482390 0.628159 0.457164 H\n0.939554 0.128159 0.542836 H\n0.517610 0.371841 0.542836 H\n0.009405 0.860473 0.333462 H\n0.657133 0.639527 0.333462 H\n0.990595 0.139527 0.666538 H\n0.342867 0.360473 0.666538 H\n0.123513 0.857883 0.255410 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C\n0.160988 0.107826 0.905709 C\n0.933303 0.392174 0.905709 C\n0.677966 0.616446 0.863322 C\n0.458711 0.883554 0.863322 C\n0.322034 0.383554 0.136678 C\n0.541289 0.116446 0.136678 C\n0.524566 0.600364 0.836200 C\n0.639234 0.899636 0.836200 C\n0.475434 0.399635 0.163800 C\n0.360766 0.100364 0.163800 C\n0.431015 0.608205 0.909921 C\n0.659064 0.891795 0.909921 C\n0.568985 0.391795 0.090079 C\n0.340936 0.108205 0.090079 C\n0.579827 0.616298 0.935571 C\n0.484602 0.883702 0.935571 C\n0.420173 0.383702 0.064429 C\n0.515398 0.116298 0.064429 C\n0.110796 0.650206 0.555902 O\n0.333303 0.849794 0.555902 O\n0.889204 0.349794 0.444098 O\n0.666697 0.150206 0.444098 O\n0.716345 0.620992 0.607862 O\n0.675792 0.879008 0.607862 O\n0.283655 0.379008 0.392138 O\n0.324208 0.120992 0.392138 O\n0.688167 0.596944 0.440125 O\n0.871708 0.903056 0.440125 O\n0.311833 0.403056 0.559875 O\n0.128292 0.096944 0.559875 O\n0.079216 0.645029 0.392854 O\n0.527930 0.854971 0.392854 O\n0.920784 0.354971 0.607146 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O\n0.058322 0.873394 0.749878 O\n0.191800 0.626606 0.749878 O\n0.941678 0.126606 0.250122 O\n0.808200 0.373394 0.250122 O\n0.912795 0.676032 0.696418 O\n0.390787 0.823968 0.696418 O\n0.087205 0.323968 0.303582 O\n0.609213 0.176032 0.303582 O\n0.999006 0.881811 0.608847 O\n0.392148 0.618189 0.608847 O\n0.000994 0.118189 0.391153 O\n0.607852 0.381811 0.391153 O\n0.299458 0.623345 0.256206 O\n0.444336 0.876655 0.256206 O\n0.700542 0.376655 0.743794 O\n0.555664 0.123345 0.743794 O\n0.179991 0.857625 0.447000 O\n0.373009 0.642375 0.447000 O\n0.820009 0.142375 0.553000 O\n0.626991 0.357625 0.553000 O\n0.120969 0.848026 0.306831 O\n0.572200 0.651974 0.306831 O\n0.879031 0.151974 0.693169 O\n0.427800 0.348026 0.693169 O\n",
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"formula_full": "K4 Y4 H56 C48 O72",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:47:13.701612Z",
"structure_string": "Ca16 Mn4 N16\n1.0\n11.154772 0.000000 0.000000\n0.000000 4.925034 0.000000\n0.000000 0.000000 10.911178\nCa Mn N\n16 4 16\ndirect\n0.097561 0.250000 0.185151 Ca\n0.597561 0.250000 0.314849 Ca\n0.902439 0.750000 0.814849 Ca\n0.402439 0.750000 0.685151 Ca\n0.769899 0.250000 0.974110 Ca\n0.269899 0.250000 0.525890 Ca\n0.230101 0.750000 0.025890 Ca\n0.730101 0.750000 0.474110 Ca\n0.440592 0.250000 0.888459 Ca\n0.940592 0.250000 0.611541 Ca\n0.559408 0.750000 0.111541 Ca\n0.059408 0.750000 0.388459 Ca\n0.129053 0.250000 0.841920 Ca\n0.629053 0.250000 0.658080 Ca\n0.870947 0.750000 0.158080 Ca\n0.370947 0.750000 0.341920 Ca\n0.368357 0.250000 0.150624 Mn\n0.868357 0.250000 0.349376 Mn\n0.631643 0.750000 0.849376 Mn\n0.131643 0.750000 0.650624 Mn\n0.823559 0.250000 0.200796 N\n0.323559 0.250000 0.299204 N\n0.176441 0.750000 0.799204 N\n0.676441 0.750000 0.700796 N\n0.924812 0.250000 0.830709 N\n0.424812 0.250000 0.669291 N\n0.075188 0.750000 0.169291 N\n0.575188 0.750000 0.330709 N\n0.262899 0.250000 0.026228 N\n0.762899 0.250000 0.473772 N\n0.737101 0.750000 0.973772 N\n0.237101 0.750000 0.526228 N\n0.513274 0.250000 0.105999 N\n0.013274 0.250000 0.394001 N\n0.486726 0.750000 0.894001 N\n0.986726 0.750000 0.605999 N\n",
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{
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"structure_string": "Li2 Mn4 P4 H18 O26\n1.0\n5.629397 0.000000 0.000000\n0.000000 9.063962 0.000000\n0.000000 0.000000 10.163178\nLi Mn P H O\n2 4 4 18 26\ndirect\n0.128012 0.000000 0.000000 Li\n0.128012 0.500000 0.500000 Li\n0.051522 0.151853 0.604200 Mn\n0.051522 0.348147 0.104200 Mn\n0.051522 0.651853 0.895800 Mn\n0.051522 0.848147 0.395800 Mn\n0.785077 0.149329 0.319645 P\n0.785077 0.350671 0.819645 P\n0.785077 0.649329 0.180355 P\n0.785077 0.850671 0.680355 P\n0.383556 0.000000 0.500000 H\n0.359834 0.980302 0.751232 H\n0.393180 0.149971 0.788683 H\n0.438449 0.193429 0.131185 H\n0.439947 0.242388 0.977755 H\n0.439947 0.257612 0.477755 H\n0.438449 0.306571 0.631185 H\n0.393180 0.350029 0.288683 H\n0.359834 0.519698 0.251232 H\n0.383556 0.500000 0.000000 H\n0.359834 0.480302 0.748768 H\n0.393180 0.649971 0.711317 H\n0.438449 0.693429 0.368815 H\n0.439947 0.742388 0.522245 H\n0.439947 0.757612 0.022245 H\n0.438449 0.806571 0.868815 H\n0.393180 0.850029 0.211317 H\n0.359834 0.019698 0.248768 H\n0.209333 0.000000 0.500000 O\n0.794606 0.020586 0.655344 O\n0.271837 0.069830 0.780940 O\n0.522319 0.182869 0.281543 O\n0.952610 0.179804 0.200038 O\n0.854987 0.239125 0.441282 O\n0.336026 0.205380 0.048840 O\n0.336026 0.294620 0.548840 O\n0.854987 0.260875 0.941282 O\n0.952610 0.320196 0.700038 O\n0.522319 0.317131 0.781543 O\n0.271837 0.430170 0.280940 O\n0.794606 0.479414 0.155344 O\n0.209333 0.500000 0.000000 O\n0.794606 0.520586 0.844656 O\n0.271837 0.569830 0.719060 O\n0.522319 0.682869 0.218457 O\n0.952610 0.679804 0.299962 O\n0.854987 0.739125 0.058718 O\n0.336026 0.705380 0.451160 O\n0.336026 0.794620 0.951160 O\n0.854987 0.760875 0.558718 O\n0.952610 0.820196 0.799962 O\n0.522319 0.817131 0.718457 O\n0.271837 0.930170 0.219060 O\n0.794606 0.979414 0.344656 O\n",
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"formula_full": "Li2 Mn4 P4 H18 O26",
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"spacegroup": 32
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{
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"structure_string": "Ca2 C4 S4 N4\n1.0\n3.191987 5.090510 0.000000\n-3.191987 5.090510 0.000000\n0.000000 0.097754 7.800460\nCa C S N\n2 4 4 4\ndirect\n0.411789 0.588211 0.250000 Ca\n0.588211 0.411789 0.750000 Ca\n0.977220 0.256792 0.397721 C\n0.256792 0.977220 0.897721 C\n0.022780 0.743208 0.602279 C\n0.743208 0.022780 0.102279 C\n0.258013 0.138706 0.325475 S\n0.861294 0.741987 0.174525 S\n0.741987 0.861294 0.674525 S\n0.138706 0.258013 0.825475 S\n0.769036 0.348834 0.449449 N\n0.348834 0.769036 0.949449 N\n0.651166 0.230964 0.050551 N\n0.230964 0.651166 0.550551 N\n",
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],
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"formula_full": "Ca2 C4 S4 N4",
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{
"id": "mp-752950",
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"structure_string": "Li4 Fe5 O10\n1.0\n5.165407 0.000000 0.000000\n0.954073 5.083181 0.000000\n2.524887 2.151576 7.177466\nLi Fe O\n4 5 10\ndirect\n0.221267 0.501914 0.575814 Li\n0.506506 0.016916 0.492015 Li\n0.611395 0.505664 0.776966 Li\n0.783818 0.505405 0.403973 Li\n0.105978 0.982195 0.310746 Fe\n0.001306 0.495560 0.007298 Fe\n0.684266 0.009337 0.112603 Fe\n0.302591 0.995200 0.893087 Fe\n0.894995 0.999299 0.689755 Fe\n0.036750 0.763607 0.139215 O\n0.110212 0.216118 0.479222 O\n0.337364 0.224467 0.050000 O\n0.224397 0.750556 0.769009 O\n0.455907 0.786929 0.340903 O\n0.552537 0.225687 0.664240 O\n0.786025 0.244869 0.234985 O\n0.677133 0.779978 0.927655 O\n0.867146 0.763755 0.545516 O\n0.950596 0.242747 0.861923 O\n",
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{
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