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{
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{
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"formula_full": "Ca2 Fe2 P8 O24",
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{
"id": "mp-1022457",
"created_at": "2022-09-04T14:40:41.690750Z",
"structure_string": "Mg12 Ti2 Fe2\n1.0\n4.813832 0.000000 0.000000\n0.000000 5.723503 0.000000\n0.000000 0.000000 10.811773\nMg Ti Fe\n12 2 2\ndirect\n0.500000 0.250822 0.423836 Mg\n0.500000 0.749178 0.423836 Mg\n0.000000 0.754781 0.084834 Mg\n0.000000 0.245219 0.084834 Mg\n0.000000 0.000000 0.312432 Mg\n0.000000 0.500000 0.324743 Mg\n0.500000 0.750822 0.923836 Mg\n0.500000 0.249178 0.923836 Mg\n0.000000 0.254781 0.584834 Mg\n0.000000 0.745219 0.584834 Mg\n0.000000 0.500000 0.812432 Mg\n0.000000 0.000000 0.824743 Mg\n0.500000 0.500000 0.174696 Ti\n0.500000 0.000000 0.674696 Ti\n0.500000 0.000000 0.170785 Fe\n0.500000 0.500000 0.670785 Fe\n",
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"formula_full": "Mg12 Ti2 Fe2",
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{
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"structure_string": "V2 Co1 P2 H8 O14\n1.0\n5.853626 -0.000023 -2.460599\n-1.034174 5.761662 -2.460398\n-1.076723 5.710956 5.632001\nV Co P H O\n2 1 2 8 14\ndirect\n0.277805 0.722199 0.555600 V\n0.722352 0.277630 0.444759 V\n0.000057 0.999943 0.000113 Co\n0.249998 0.249984 0.500015 P\n0.750016 0.750003 0.500009 P\n0.112820 0.419560 0.879644 H\n0.580438 0.233172 0.879642 H\n0.299202 0.887172 0.879653 H\n0.766828 0.700801 0.879648 H\n0.887101 0.580610 0.120191 H\n0.233091 0.299189 0.120188 H\n0.419393 0.766911 0.120195 H\n0.700808 0.112905 0.120184 H\n0.844114 0.155888 0.688254 O\n0.156081 0.843918 0.312128 O\n0.182247 0.270325 0.999983 O\n0.729673 0.182267 0.999981 O\n0.270317 0.817745 0.999993 O\n0.817741 0.729686 0.999990 O\n0.297538 0.985797 0.637444 O\n0.339866 0.376737 0.637441 O\n0.623260 0.702465 0.637433 O\n0.376765 0.297559 0.362526 O\n0.702436 0.014276 0.362511 O\n0.985723 0.339891 0.362510 O\n0.014204 0.660131 0.637444 O\n0.660116 0.623238 0.362518 O\n",
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"formula_full": "V2 Co1 P2 H8 O14",
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},
{
"id": "mp-1094791",
"created_at": "2022-09-04T14:42:44.415737Z",
"structure_string": "Mg3 Zn1\n1.0\n4.354389 0.000000 0.000000\n0.000000 4.354389 0.000000\n0.000000 0.000000 4.354389\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
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},
{
"id": "mp-1233687",
"created_at": "2022-09-04T14:41:49.727612Z",
"structure_string": "Ca1 Fe4 P4 O16\n1.0\n8.587474 -0.019343 0.377792\n-0.014593 8.853370 0.045301\n-1.723883 0.026685 4.975070\nCa Fe P O\n1 4 4 16\ndirect\n0.004605 0.999956 0.488698 Ca\n0.187633 0.505415 0.462931 Fe\n0.330123 0.016611 0.062306 Fe\n0.679056 0.984904 0.910937 Fe\n0.808576 0.496709 0.536656 Fe\n0.170717 0.679974 0.881924 P\n0.311402 0.178770 0.603941 P\n0.694884 0.824669 0.367872 P\n0.824666 0.322209 0.119353 P\n0.018926 0.607228 0.675502 O\n0.182675 0.173185 0.759544 O\n0.158263 0.853579 0.859120 O\n0.246076 0.069477 0.364286 O\n0.309010 0.616952 0.777096 O\n0.185134 0.630453 0.168130 O\n0.333097 0.339143 0.500245 O\n0.468985 0.114952 0.796232 O\n0.539906 0.888949 0.166756 O\n0.666796 0.667302 0.475587 O\n0.808280 0.377977 0.836050 O\n0.686251 0.379521 0.228923 O\n0.757589 0.936836 0.603631 O\n0.841872 0.148905 0.132367 O\n0.826465 0.826429 0.218261 O\n0.975680 0.395607 0.328650 O\n",
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{
"id": "mp-757130",
"created_at": "2022-09-04T14:39:59.289467Z",
"structure_string": "Li12 Cr2 Co2 P4 C4 O28\n1.0\n0.431569 4.981451 6.445955\n-0.431667 -4.982377 6.446582\n8.170211 -4.924792 0.000298\nLi Cr Co P C O\n12 2 2 4 4 28\ndirect\n0.571871 0.677939 0.109934 Li\n0.073136 0.176887 0.112007 Li\n0.928384 0.819468 0.894175 Li\n0.430634 0.321471 0.894085 Li\n0.278862 0.743651 0.271847 Li\n0.779240 0.239872 0.269636 Li\n0.506799 0.971201 0.271600 Li\n0.010124 0.470467 0.269633 Li\n0.987979 0.530245 0.729040 Li\n0.488293 0.031085 0.728030 Li\n0.218945 0.761766 0.728094 Li\n0.719751 0.262028 0.729124 Li\n0.058375 0.191522 0.664144 Cr\n0.558894 0.691278 0.664981 Cr\n0.939234 0.808832 0.334253 Co\n0.440827 0.311157 0.334041 Co\n0.693911 0.556085 0.408998 P\n0.194960 0.055067 0.410668 P\n0.803722 0.946437 0.584550 P\n0.303697 0.446233 0.584617 P\n0.741247 0.009769 0.040157 C\n0.240106 0.508706 0.039920 C\n0.761572 0.488423 0.965098 C\n0.260726 0.989231 0.965511 C\n0.877620 0.870073 0.066200 O\n0.380210 0.372909 0.065819 O\n0.372525 0.877300 0.103485 O\n0.873206 0.376496 0.102940 O\n0.714051 0.041218 0.161225 O\n0.208374 0.535255 0.161104 O\n0.671616 0.077617 0.420441 O\n0.172760 0.578252 0.420369 O\n0.542855 0.707304 0.417839 O\n0.043179 0.206703 0.418252 O\n0.952903 0.798923 0.567744 O\n0.451266 0.296895 0.568063 O\n0.822094 0.427788 0.576667 O\n0.322810 0.927267 0.578771 O\n0.785837 0.464101 0.840076 O\n0.285155 0.964776 0.840726 O\n0.132135 0.617348 0.898903 O\n0.632772 0.117579 0.899057 O\n0.626283 0.624070 0.945966 O\n0.125357 0.124757 0.946511 O\n0.607939 0.454269 0.309584 O\n0.109816 0.952176 0.312117 O\n0.795980 0.641761 0.309694 O\n0.297697 0.140380 0.312023 O\n0.893432 0.042747 0.687754 O\n0.394904 0.541268 0.688388 O\n0.708831 0.855183 0.688415 O\n0.207100 0.356769 0.687723 O\n",
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"formula_full": "Li12 Cr2 Co2 P4 C4 O28",
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{
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"structure_string": "Li16 Co4 O8 F8\n1.0\n-0.292351 6.485994 -0.000007\n7.785532 -0.282078 -0.000006\n0.000006 0.000008 -7.421021\nLi Co O F\n16 4 8 8\ndirect\n0.882189 0.353647 0.250027 Li\n0.382194 0.853640 0.499969 Li\n0.882198 0.353639 0.750031 Li\n0.382194 0.853645 0.999972 Li\n0.117805 0.646355 0.250027 Li\n0.617802 0.146362 0.499970 Li\n0.117803 0.646360 0.750030 Li\n0.617803 0.146355 0.999973 Li\n0.190241 0.340538 0.500000 Li\n0.690239 0.840539 0.750002 Li\n0.190241 0.340529 0.999994 Li\n0.690241 0.840530 0.250003 Li\n0.809759 0.659470 0.000000 Li\n0.309759 0.159465 0.250003 Li\n0.809760 0.659460 0.499996 Li\n0.309759 0.159461 0.750002 Li\n0.000036 0.000012 0.500063 Co\n0.499974 0.499991 0.749937 Co\n0.000012 0.000003 0.000066 Co\n0.500061 0.500018 0.249933 Co\n0.230027 0.414099 0.249984 O\n0.730025 0.914094 0.499991 O\n0.230050 0.414102 0.750010 O\n0.730044 0.914106 0.000014 O\n0.769923 0.585885 0.249985 O\n0.269945 0.085897 0.499990 O\n0.769970 0.585907 0.750011 O\n0.269944 0.085891 0.000015 O\n0.904192 0.267893 0.000044 F\n0.404193 0.767896 0.249959 F\n0.904193 0.267897 0.500003 F\n0.404193 0.767893 0.749994 F\n0.095807 0.732104 0.500004 F\n0.595811 0.232106 0.749997 F\n0.095807 0.732107 0.000042 F\n0.595806 0.232104 0.249959 F\n",
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{
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{
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"structure_string": "Li24 Mn8 Al8 O32\n1.0\n-5.444634 5.444634 6.715099\n5.444634 -5.444634 6.715099\n5.444634 5.444634 -6.715099\nLi Mn Al O\n24 8 8 32\ndirect\n0.927160 0.103500 0.151427 Li\n0.822840 0.146500 0.348573 Li\n0.525733 0.177160 0.323660 Li\n0.896500 0.047927 0.823660 Li\n0.441523 0.297717 0.137783 Li\n0.713841 0.571954 0.147188 Li\n0.224267 0.072840 0.176340 Li\n0.853500 0.202073 0.676340 Li\n0.702283 0.840065 0.143805 Li\n0.428046 0.575234 0.141887 Li\n0.797927 0.474267 0.651427 Li\n0.952073 0.775733 0.848573 Li\n0.321954 0.674766 0.358113 Li\n0.433348 0.286159 0.858113 Li\n0.047717 0.409935 0.356195 Li\n0.696260 0.558477 0.856195 Li\n0.036159 0.678046 0.352812 Li\n0.424766 0.566652 0.852812 Li\n0.590065 0.946260 0.637783 Li\n0.308477 0.952283 0.362217 Li\n0.159935 0.303740 0.862217 Li\n0.325234 0.683348 0.647188 Li\n0.053740 0.691523 0.643805 Li\n0.316652 0.963841 0.641887 Li\n0.451780 0.925994 0.000277 Mn\n0.548497 0.548220 0.474214 Mn\n0.675994 0.175717 0.974214 Mn\n0.824283 0.798497 0.500277 Mn\n0.298220 0.324006 0.499723 Mn\n0.074006 0.074283 0.525786 Mn\n0.201503 0.701780 0.025786 Mn\n0.925717 0.451503 0.999723 Mn\n0.751246 0.411660 0.300083 Al\n0.548838 0.248754 0.660414 Al\n0.161660 0.361576 0.160414 Al\n0.588340 0.888424 0.339586 Al\n0.638424 0.798838 0.800083 Al\n0.111576 0.451162 0.699917 Al\n0.998754 0.838340 0.199917 Al\n0.201162 0.001246 0.839586 Al\n0.833123 0.268758 0.244402 O\n0.338721 0.083123 0.064365 O\n0.601346 0.358006 0.086790 O\n0.863021 0.642180 0.094834 O\n0.886979 0.607820 0.405166 O\n0.651186 0.392345 0.400190 O\n0.411279 0.166877 0.435635 O\n0.357820 0.452654 0.220841 O\n0.518187 0.113021 0.720841 O\n0.916877 0.981242 0.255598 O\n0.142345 0.242155 0.241159 O\n0.749004 0.348814 0.741159 O\n0.641994 0.728783 0.243340 O\n0.108006 0.521217 0.256660 O\n0.485443 0.398654 0.756660 O\n0.607655 0.007845 0.258841 O\n0.725644 0.661279 0.744402 O\n0.231813 0.136979 0.779159 O\n0.392180 0.797346 0.279159 O\n0.731242 0.975644 0.564365 O\n0.478783 0.735443 0.586790 O\n0.098814 0.857655 0.099810 O\n0.992155 0.250996 0.599810 O\n0.202654 0.481813 0.594834 O\n0.547346 0.768187 0.905166 O\n0.757845 0.999004 0.900190 O\n0.271217 0.514557 0.913210 O\n0.148654 0.891994 0.413210 O\n0.018758 0.274356 0.935635 O\n0.024356 0.588721 0.755598 O\n0.264557 0.851346 0.743340 O\n0.000996 0.901186 0.758841 O\n",
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{
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"structure_string": "Mg12 Cr2 Ni2\n1.0\n4.822669 0.000000 0.000000\n0.000000 6.065371 0.000000\n0.000000 0.000000 10.469677\nMg Cr Ni\n12 2 2\ndirect\n0.500000 0.248909 0.083226 Mg\n0.500000 0.751091 0.083226 Mg\n0.000000 0.244848 0.910965 Mg\n0.000000 0.755152 0.910965 Mg\n0.000000 0.500000 0.174886 Mg\n0.000000 0.500000 0.671201 Mg\n0.500000 0.748909 0.583226 Mg\n0.500000 0.251091 0.583226 Mg\n0.000000 0.744848 0.410965 Mg\n0.000000 0.255152 0.410965 Mg\n0.000000 0.000000 0.674886 Mg\n0.000000 0.000000 0.171201 Mg\n0.500000 0.500000 0.833049 Cr\n0.500000 0.000000 0.333049 Cr\n0.500000 0.500000 0.332486 Ni\n0.500000 0.000000 0.832486 Ni\n",
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}