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{
"id": "mp-1039536",
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"structure_string": "Ca3 Mg3\n1.0\n1.843700 -3.193381 0.000000\n1.843700 3.193381 0.000000\n0.000000 0.000000 16.781714\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.805774 Ca\n0.666667 0.333333 0.194226 Ca\n0.000000 0.000000 0.642377 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.357623 Mg\n",
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{
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},
{
"id": "mp-759623",
"created_at": "2022-09-04T14:40:15.170391Z",
"structure_string": "Li6 Mn6 F24\n1.0\n6.910738 0.000000 0.000000\n-1.578542 8.271703 0.000000\n-2.819469 -1.736657 9.139968\nLi Mn F\n6 6 24\ndirect\n0.003592 0.012643 0.266491 Li\n0.189814 0.599412 0.349137 Li\n0.477051 0.682130 0.865066 Li\n0.522949 0.317870 0.134934 Li\n0.810186 0.400588 0.650863 Li\n0.996408 0.987357 0.733509 Li\n0.036409 0.695784 0.990798 Mn\n0.236714 0.309896 0.574700 Mn\n0.469853 0.901231 0.230848 Mn\n0.530147 0.098769 0.769152 Mn\n0.763286 0.690104 0.425300 Mn\n0.963591 0.304216 0.009202 Mn\n0.044880 0.834868 0.860181 F\n0.045358 0.723364 0.428757 F\n0.046472 0.553092 0.135358 F\n0.183987 0.895498 0.192612 F\n0.262168 0.126202 0.744879 F\n0.326420 0.490812 0.724826 F\n0.469001 0.887193 0.796702 F\n0.181843 0.111123 0.450637 F\n0.272622 0.427820 0.424675 F\n0.451186 0.735313 0.346114 F\n0.334888 0.721334 0.027101 F\n0.236715 0.303711 0.028518 F\n0.763285 0.696289 0.971482 F\n0.665112 0.278666 0.972899 F\n0.548814 0.264687 0.653886 F\n0.727378 0.572180 0.575325 F\n0.818157 0.888877 0.549363 F\n0.530999 0.112807 0.203298 F\n0.673580 0.509188 0.275174 F\n0.737832 0.873798 0.255121 F\n0.816013 0.104502 0.807388 F\n0.953528 0.446908 0.864642 F\n0.954642 0.276636 0.571243 F\n0.955120 0.165132 0.139819 F\n",
"nsites": 36,
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"elements": [
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"volume": 522.4732211015681,
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"formula_full": "Li6 Mn6 F24",
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{
"id": "mp-755879",
"created_at": "2022-09-04T14:40:15.172476Z",
"structure_string": "Fe8 O2 F14\n1.0\n3.452101 4.711861 0.000000\n-3.452101 4.711861 0.000000\n0.000000 0.421664 9.293833\nFe O F\n8 2 14\ndirect\n0.118225 0.118225 0.370875 Fe\n0.881775 0.881775 0.629125 Fe\n0.731076 0.731076 0.246240 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.614467 0.614467 0.859025 Fe\n0.385533 0.385533 0.140975 Fe\n0.268924 0.268924 0.753760 Fe\n0.476201 0.476201 0.712039 O\n0.523799 0.523799 0.287961 O\n0.197675 0.802325 0.500000 F\n0.053387 0.440679 0.244540 F\n0.802325 0.197675 0.500000 F\n0.231197 0.231197 0.974454 F\n0.960956 0.960956 0.225447 F\n0.726529 0.726529 0.475762 F\n0.768803 0.768803 0.025546 F\n0.039044 0.039044 0.774553 F\n0.273471 0.273471 0.524238 F\n0.695378 0.304622 0.000000 F\n0.440679 0.053387 0.244540 F\n0.946613 0.559321 0.755460 F\n0.304622 0.695378 0.000000 F\n0.559321 0.946613 0.755460 F\n",
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"formula_full": "Fe8 O2 F14",
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"spacegroup": 12
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{
"id": "mp-756419",
"created_at": "2022-09-04T14:40:15.177201Z",
"structure_string": "Sc4 Fe4 O12\n1.0\n5.023152 -0.001008 0.014995\n-0.000997 5.397464 -0.004999\n0.022797 -0.006992 7.427330\nSc Fe O\n4 4 12\ndirect\n0.029225 0.922825 0.749657 Sc\n0.470685 0.422234 0.749162 Sc\n0.529313 0.577765 0.250837 Sc\n0.970776 0.077175 0.250345 Sc\n0.000003 0.500001 0.999999 Fe\n0.000001 0.500000 0.500000 Fe\n0.499998 0.000001 0.999999 Fe\n0.500000 0.000001 0.500001 Fe\n0.140507 0.443741 0.241067 O\n0.193333 0.187765 0.568356 O\n0.180420 0.198601 0.929613 O\n0.319268 0.698512 0.569430 O\n0.306099 0.687961 0.930856 O\n0.360490 0.944106 0.258504 O\n0.639511 0.055895 0.741496 O\n0.693899 0.312038 0.069144 O\n0.680734 0.301488 0.430569 O\n0.819579 0.801401 0.070387 O\n0.806669 0.812234 0.431644 O\n0.859492 0.556258 0.758933 O\n",
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"formula_full": "Sc4 Fe4 O12",
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{
"id": "mp-769489",
"created_at": "2022-09-04T14:40:15.178372Z",
"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n8.881992 0.018368 -0.010132\n0.165239 5.248316 -0.001155\n-0.015640 -0.002785 13.225876\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.079427 0.772078 0.129265 Na\n0.274331 0.257885 0.004787 Na\n0.275251 0.256967 0.244297 Na\n0.265936 0.253134 0.506831 Na\n0.265876 0.253819 0.743710 Na\n0.728057 0.747342 0.487508 Na\n0.732335 0.745539 0.754447 Na\n0.728976 0.743748 0.000322 Na\n0.917184 0.223925 0.875089 Na\n0.910563 0.218100 0.367576 Na\n0.344126 0.775542 0.374878 Ni\n0.345124 0.777880 0.875270 Ni\n0.657667 0.219657 0.129468 Ni\n0.655535 0.222741 0.624310 Ni\n0.421297 0.720966 0.125980 P\n0.422269 0.719517 0.624586 P\n0.577912 0.282700 0.375133 P\n0.581873 0.281052 0.875217 P\n0.067320 0.708065 0.377552 C\n0.062918 0.711592 0.874753 C\n0.931144 0.288666 0.624734 C\n0.939677 0.288266 0.122445 C\n0.083551 0.316164 0.124546 O\n0.071659 0.314186 0.625046 O\n0.126743 0.933501 0.373948 O\n0.120590 0.936281 0.875999 O\n0.163269 0.513591 0.374773 O\n0.156865 0.515129 0.874190 O\n0.324162 0.788313 0.530646 O\n0.316752 0.787774 0.033291 O\n0.318752 0.790227 0.218746 O\n0.325645 0.790751 0.718049 O\n0.430301 0.136207 0.375725 O\n0.431899 0.140502 0.874278 O\n0.456304 0.427502 0.125323 O\n0.459684 0.424874 0.625261 O\n0.534808 0.574050 0.379078 O\n0.546567 0.575163 0.875022 O\n0.572477 0.861439 0.623511 O\n0.566067 0.869607 0.123929 O\n0.682021 0.209795 0.781978 O\n0.681600 0.210035 0.968516 O\n0.677056 0.225969 0.281897 O\n0.680707 0.214902 0.467433 O\n0.845667 0.482370 0.121317 O\n0.833136 0.479861 0.624536 O\n0.869887 0.066713 0.624815 O\n0.882994 0.062972 0.122969 O\n0.919319 0.684395 0.875990 O\n0.926395 0.682605 0.381108 O\n",
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{
"id": "mp-674322",
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"structure_string": "Co4 I8 O24\n1.0\n5.453934 0.000000 0.000000\n-0.003142 10.870494 0.000000\n-0.004295 -5.330280 9.518476\nCo I O\n4 8 24\ndirect\n0.570924 0.509425 0.505193 Co\n0.571381 0.005123 0.002059 Co\n0.071800 0.994044 0.493995 Co\n0.071853 0.490872 0.998386 Co\n0.962948 0.835413 0.683938 I\n0.963242 0.332156 0.186340 I\n0.463177 0.666865 0.315854 I\n0.995008 0.836680 0.150895 I\n0.463785 0.165688 0.814241 I\n0.493088 0.659931 0.846810 I\n0.991321 0.338738 0.654364 I\n0.493670 0.163807 0.346945 I\n0.779468 0.977085 0.823923 O\n0.785312 0.679100 0.655563 O\n0.362489 0.649008 0.467084 O\n0.862551 0.855806 0.534220 O\n0.787221 0.475457 0.327964 O\n0.781453 0.175959 0.156618 O\n0.285212 0.822602 0.342386 O\n0.282565 0.522441 0.176865 O\n0.359236 0.141348 0.960984 O\n0.859300 0.353674 0.037796 O\n0.849400 0.957426 0.320014 O\n0.867541 0.670496 0.128451 O\n0.282002 0.322006 0.845252 O\n0.284916 0.024818 0.671291 O\n0.282417 0.635413 0.966288 O\n0.780607 0.857764 0.030567 O\n0.845621 0.454652 0.825561 O\n0.859743 0.170507 0.623217 O\n0.362837 0.827082 0.873856 O\n0.345069 0.542627 0.676947 O\n0.277747 0.140385 0.464854 O\n0.779215 0.366216 0.537873 O\n0.364928 0.330966 0.373000 O\n0.349003 0.044221 0.176607 O\n",
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{
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"structure_string": "Li2 Ti2 V3 O10\n1.0\n5.212166 -0.129164 0.237401\n-1.057842 5.044247 -0.354191\n-2.192385 1.711141 7.220571\nLi Ti V O\n2 2 3 10\ndirect\n0.211449 0.551729 0.394043 Li\n0.783202 0.447092 0.608979 Li\n0.126046 0.007378 0.687415 Ti\n0.868604 0.989252 0.316679 Ti\n0.997813 0.503149 0.994974 V\n0.692940 0.959660 0.894690 V\n0.312793 0.044775 0.108098 V\n0.061387 0.215719 0.863191 O\n0.051572 0.772103 0.507007 O\n0.313728 0.791374 0.945755 O\n0.206363 0.275838 0.212989 O\n0.479416 0.153753 0.684997 O\n0.510482 0.837578 0.311822 O\n0.806171 0.713873 0.780256 O\n0.680640 0.214267 0.066949 O\n0.944329 0.228487 0.486575 O\n0.953066 0.793972 0.135582 O\n",
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{
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{
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{
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{
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"structure_string": "Li16 Cr8 C16 S4 O64\n1.0\n9.417678 0.000000 0.000000\n4.659113 8.261262 0.000000\n4.542242 2.444017 15.461828\nLi Cr C S O\n16 8 16 4 64\ndirect\n0.782309 0.282520 0.032776 Li\n0.418165 0.918606 0.169575 Li\n0.992906 0.918774 0.168539 Li\n0.419181 0.491692 0.169133 Li\n0.677215 0.631422 0.454911 Li\n0.136225 0.187219 0.458730 Li\n0.085270 0.588449 0.342237 Li\n0.918863 0.409681 0.672731 Li\n0.896418 0.777966 0.534308 Li\n0.697948 0.218580 0.454768 Li\n0.930050 0.993415 0.671011 Li\n0.632000 0.706259 0.956262 Li\n0.206827 0.132845 0.955618 Li\n0.485206 0.433308 0.662878 Li\n0.593509 0.092790 0.842388 Li\n0.206051 0.706369 0.955501 Li\n0.000760 0.500291 0.999799 Cr\n0.748705 0.751123 0.249340 Cr\n0.250278 0.249041 0.250249 Cr\n0.499525 0.000783 0.499608 Cr\n0.749450 0.250454 0.250126 Cr\n0.752899 0.748885 0.750381 Cr\n0.250915 0.250426 0.750134 Cr\n0.251928 0.750565 0.749813 Cr\n0.074303 0.207110 0.138410 C\n0.704856 0.571821 0.140390 C\n0.079649 0.574569 0.143719 C\n0.890564 0.396971 0.327172 C\n0.425259 0.926957 0.355773 C\n0.608429 0.105000 0.174660 C\n0.426894 0.289090 0.360284 C\n0.794059 0.926766 0.358444 C\n0.578996 0.705736 0.639885 C\n0.206103 0.074656 0.640446 C\n0.581554 0.073450 0.642540 C\n0.392865 0.896039 0.827382 C\n0.923944 0.427886 0.856697 C\n0.108974 0.606566 0.674767 C\n0.927013 0.791205 0.860337 C\n0.292959 0.429192 0.858067 C\n0.312509 0.812507 0.062491 S\n0.811950 0.312285 0.562693 S\n0.177921 0.687259 0.437848 S\n0.688033 0.187563 0.937644 S\n0.408910 0.652077 0.029409 O\n0.151122 0.907241 0.030493 O\n0.409833 0.908546 0.030799 O\n0.280271 0.782227 0.159304 O\n0.774579 0.520797 0.065419 O\n0.939267 0.192104 0.147872 O\n0.125946 0.277139 0.065283 O\n0.640617 0.489951 0.201436 O\n0.695745 0.705870 0.150931 O\n0.156623 0.146100 0.200884 O\n0.869234 0.272817 0.327012 O\n0.027442 0.625611 0.071198 O\n0.502507 0.849727 0.290103 O\n0.464913 0.117678 0.177396 O\n0.766745 0.541668 0.329082 O\n0.215028 0.442120 0.154536 O\n0.289998 0.062342 0.350596 O\n0.737366 0.964161 0.176151 O\n0.037796 0.375771 0.328846 O\n0.997470 0.662127 0.206501 O\n0.907277 0.152561 0.528793 O\n0.650037 0.408164 0.530273 O\n0.486842 0.869133 0.426361 O\n0.624445 0.236236 0.171300 O\n0.344191 0.360099 0.296124 O\n0.805759 0.787980 0.350740 O\n0.908839 0.407755 0.532278 O\n0.778881 0.280419 0.659447 O\n0.444492 0.693478 0.649674 O\n0.276384 0.026741 0.565635 O\n0.369083 0.216663 0.429755 O\n0.850459 0.008065 0.293489 O\n0.632415 0.776994 0.566277 O\n0.142720 0.990791 0.701055 O\n0.566246 0.290143 0.352839 O\n0.725292 0.980052 0.432315 O\n0.200901 0.716703 0.341053 O\n0.070681 0.595931 0.467203 O\n0.192464 0.210071 0.652920 O\n0.665077 0.642158 0.701123 O\n0.529025 0.126668 0.570178 O\n0.371920 0.772178 0.826683 O\n0.073589 0.843988 0.474595 O\n0.336225 0.591372 0.468946 O\n0.965011 0.622858 0.669863 O\n0.004874 0.354437 0.790413 O\n0.719245 0.939328 0.651206 O\n0.269546 0.040935 0.829221 O\n0.236213 0.464932 0.677282 O\n0.790737 0.564469 0.851116 O\n0.540350 0.874064 0.829859 O\n0.500897 0.155639 0.706801 O\n0.119464 0.735429 0.678095 O\n0.978182 0.365325 0.930195 O\n0.842144 0.862862 0.796874 O\n0.306707 0.287742 0.851834 O\n0.870160 0.717206 0.929817 O\n0.354897 0.506403 0.793014 O\n0.065261 0.794141 0.852302 O\n0.216394 0.489446 0.928728 O\n0.590750 0.091278 0.965576 O\n0.717160 0.214986 0.840734 O\n0.847336 0.097258 0.972029 O\n0.597030 0.346763 0.972269 O\n",
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}