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{
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"structure_string": "Li6 Mn4 P4 C4 O28\n1.0\n6.479320 0.000000 0.000000\n0.068850 8.296302 0.000000\n0.032854 0.757551 10.072849\nLi Mn P C O\n6 4 4 4 28\ndirect\n0.021843 0.738882 0.874498 Li\n0.478740 0.743921 0.874422 Li\n0.053149 0.725468 0.380639 Li\n0.970080 0.269798 0.633415 Li\n0.534314 0.263266 0.115233 Li\n0.741147 0.097597 0.383634 Li\n0.743943 0.670543 0.597579 Mn\n0.750382 0.668408 0.104252 Mn\n0.246423 0.329939 0.898632 Mn\n0.252051 0.328529 0.397065 Mn\n0.243123 0.579954 0.637256 P\n0.251879 0.578203 0.134201 P\n0.752067 0.420422 0.861530 P\n0.751619 0.420454 0.360360 P\n0.758187 0.957398 0.645409 C\n0.748704 0.948912 0.149276 C\n0.246826 0.046431 0.857440 C\n0.246499 0.045503 0.353467 C\n0.751333 0.914285 0.523420 O\n0.246778 0.899130 0.835474 O\n0.743771 0.900690 0.028795 O\n0.744495 0.829507 0.734305 O\n0.227107 0.903032 0.327856 O\n0.773381 0.826740 0.239787 O\n0.060208 0.691624 0.591142 O\n0.437737 0.674419 0.598136 O\n0.062393 0.674913 0.078059 O\n0.437441 0.685671 0.089953 O\n0.745209 0.590071 0.921543 O\n0.236355 0.546490 0.793621 O\n0.770918 0.580857 0.426152 O\n0.232375 0.543259 0.287610 O\n0.763576 0.457771 0.708295 O\n0.224087 0.415763 0.575106 O\n0.742771 0.460403 0.207335 O\n0.273228 0.411931 0.074856 O\n0.940065 0.319068 0.909149 O\n0.562236 0.320501 0.908410 O\n0.564477 0.314834 0.402626 O\n0.932417 0.302853 0.401835 O\n0.231403 0.165244 0.764046 O\n0.776945 0.097354 0.677195 O\n0.272339 0.167006 0.262059 O\n0.262887 0.099813 0.975151 O\n0.727850 0.090953 0.181376 O\n0.241432 0.098417 0.473232 O\n",
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{
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"structure_string": "Li2 Dy2 S4 O16\n1.0\n7.545398 0.000000 0.000000\n0.000000 7.545398 0.000000\n0.000000 0.000000 5.928876\nLi Dy S O\n2 2 4 16\ndirect\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.250000 Dy\n0.500000 0.000000 0.750000 Dy\n0.776174 0.723826 0.750000 S\n0.223826 0.276174 0.750000 S\n0.723826 0.223826 0.250000 S\n0.276174 0.776174 0.250000 S\n0.911485 0.684888 0.568167 O\n0.088515 0.315112 0.568167 O\n0.588515 0.184888 0.068167 O\n0.411485 0.815112 0.068167 O\n0.684888 0.088515 0.431833 O\n0.315112 0.911485 0.431833 O\n0.815112 0.588515 0.931833 O\n0.184888 0.411485 0.931833 O\n0.594347 0.708909 0.657534 O\n0.405653 0.291091 0.657534 O\n0.905653 0.208909 0.157534 O\n0.094347 0.791091 0.157534 O\n0.291091 0.594347 0.342466 O\n0.708909 0.405653 0.342466 O\n0.208909 0.094347 0.842466 O\n0.791091 0.905653 0.842466 O\n",
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"formula_full": "Li2 Dy2 S4 O16",
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"energy": -166.38103058,
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{
"id": "mp-756685",
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"structure_string": "Co1 Cu4 O8\n1.0\n2.872375 5.223310 0.000000\n-2.872375 5.223310 0.000000\n0.000000 2.195609 5.026753\nCo Cu O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.699376 0.699376 0.828041 O\n0.702018 0.264237 0.768435 O\n0.264237 0.702018 0.768435 O\n0.197520 0.197520 0.839262 O\n0.802480 0.802480 0.160738 O\n0.735763 0.297982 0.231565 O\n0.297982 0.735763 0.231565 O\n0.300624 0.300624 0.171959 O\n",
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"formula_full": "Co1 Cu4 O8",
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{
"id": "mp-1223044",
"created_at": "2022-09-04T14:48:12.635954Z",
"structure_string": "Li12 Zn4 Fe8 P12 O48\n1.0\n7.704990 0.000000 0.000000\n1.095457 11.226587 0.000000\n2.943296 3.752327 10.358847\nLi Zn Fe P O\n12 4 8 12 48\ndirect\n0.333498 0.333354 0.499537 Li\n0.666800 0.666915 0.499251 Li\n0.999348 0.000191 0.499652 Li\n0.000346 0.499833 0.000434 Li\n0.333881 0.833354 0.000049 Li\n0.667008 0.166472 0.000448 Li\n0.000274 0.499844 0.499445 Li\n0.333786 0.833193 0.499515 Li\n0.666689 0.166827 0.499489 Li\n0.332953 0.333502 0.000442 Li\n0.666323 0.666805 0.000490 Li\n0.999864 0.000429 0.999957 Li\n0.586465 0.336470 0.218875 Zn\n0.252686 0.002789 0.219003 Zn\n0.919502 0.669606 0.218902 Zn\n0.267835 0.017882 0.718802 Zn\n0.934766 0.685194 0.720428 Fe\n0.602176 0.351718 0.720401 Fe\n0.748557 0.998658 0.779781 Fe\n0.415228 0.665639 0.779870 Fe\n0.082131 0.331596 0.779941 Fe\n0.064987 0.314817 0.279305 Fe\n0.731357 0.981632 0.279258 Fe\n0.398256 0.648176 0.279089 Fe\n0.003623 0.753462 0.406406 P\n0.336827 0.086814 0.407141 P\n0.670171 0.420171 0.406417 P\n0.724757 0.474535 0.908462 P\n0.058149 0.808276 0.907972 P\n0.391109 0.141224 0.907834 P\n0.998223 0.245968 0.592852 P\n0.330220 0.580297 0.592409 P\n0.662016 0.914092 0.592846 P\n0.274705 0.524645 0.093380 P\n0.607838 0.857960 0.093375 P\n0.941071 0.191264 0.093439 P\n0.847560 0.800592 0.334765 O\n0.180382 0.133546 0.335845 O\n0.514033 0.467295 0.334858 O\n0.928805 0.474806 0.837096 O\n0.262117 0.809126 0.835894 O\n0.595424 0.142215 0.836710 O\n0.882488 0.334263 0.664594 O\n0.214262 0.668404 0.664085 O\n0.546452 0.002523 0.664656 O\n0.343307 0.388297 0.164572 O\n0.675942 0.721629 0.164940 O\n0.009094 0.054926 0.165014 O\n0.154820 0.198267 0.664458 O\n0.486145 0.532631 0.664423 O\n0.818462 0.866202 0.664325 O\n0.070114 0.524491 0.164975 O\n0.403288 0.858367 0.164553 O\n0.736500 0.191710 0.164626 O\n0.118785 0.665071 0.334983 O\n0.451313 0.998090 0.335905 O\n0.785154 0.331758 0.334895 O\n0.657741 0.610771 0.836748 O\n0.991155 0.944439 0.835981 O\n0.323814 0.277626 0.836926 O\n0.778977 0.528870 0.403525 O\n0.112240 0.862297 0.403598 O\n0.445759 0.195726 0.403591 O\n0.617758 0.367911 0.906103 O\n0.951328 0.701287 0.905946 O\n0.285028 0.034947 0.903889 O\n0.222095 0.471962 0.594343 O\n0.554591 0.805605 0.594478 O\n0.889174 0.138360 0.594462 O\n0.381665 0.631886 0.094144 O\n0.715168 0.965195 0.094276 O\n0.048693 0.298354 0.094339 O\n0.053815 0.803856 0.046825 O\n0.386315 0.136429 0.046984 O\n0.720359 0.470425 0.047214 O\n0.915268 0.665142 0.545112 O\n0.248761 0.998744 0.546507 O\n0.581856 0.331948 0.545161 O\n0.944752 0.194664 0.955150 O\n0.277985 0.528273 0.954963 O\n0.611793 0.861359 0.955034 O\n0.086110 0.334915 0.454640 O\n0.418842 0.668797 0.454378 O\n0.751087 0.002399 0.454614 O\n",
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"formula_full": "Li12 Zn4 Fe8 P12 O48",
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{
"id": "mp-1223378",
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"structure_string": "K1 Na4 Cl5\n1.0\n2.062270 6.867783 0.000000\n-2.062270 6.867783 0.000000\n0.000000 5.011102 8.835306\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.599638 0.599638 0.597649 Na\n0.198954 0.198954 0.203894 Na\n0.801046 0.801046 0.796106 Na\n0.400362 0.400362 0.402351 Na\n0.207634 0.207634 0.687541 Cl\n0.792366 0.792366 0.312459 Cl\n0.391217 0.391217 0.890075 Cl\n0.000000 0.000000 0.500000 Cl\n0.608783 0.608783 0.109925 Cl\n",
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{
"id": "mp-1211915",
"created_at": "2022-09-04T14:48:12.640791Z",
"structure_string": "K12 Cr8 As12 O48\n1.0\n-6.405988 6.405988 6.405988\n6.405988 -6.405988 6.405988\n6.405988 6.405988 -6.405988\nK Cr As O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 K\n0.750000 0.625000 0.875000 K\n0.750000 0.125000 0.375000 K\n0.125000 0.250000 0.375000 K\n0.375000 0.750000 0.125000 K\n0.250000 0.875000 0.625000 K\n0.875000 0.750000 0.625000 K\n0.625000 0.250000 0.875000 K\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.750000 K\n0.125000 0.375000 0.750000 K\n0.875000 0.625000 0.250000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.250000 0.625000 0.375000 As\n0.750000 0.375000 0.625000 As\n0.750000 0.875000 0.125000 As\n0.375000 0.250000 0.625000 As\n0.625000 0.750000 0.375000 As\n0.250000 0.125000 0.875000 As\n0.125000 0.750000 0.875000 As\n0.875000 0.250000 0.125000 As\n0.625000 0.375000 0.250000 As\n0.375000 0.625000 0.750000 As\n0.875000 0.125000 0.750000 As\n0.125000 0.875000 0.250000 As\n0.502412 0.395581 0.307880 O\n0.497588 0.604419 0.692120 O\n0.587701 0.194532 0.192120 O\n0.912299 0.104419 0.606831 O\n0.307880 0.502412 0.395581 O\n0.305468 0.912299 0.307880 O\n0.412299 0.805468 0.807880 O\n0.087701 0.895581 0.393169 O\n0.692120 0.497588 0.604419 O\n0.694532 0.087701 0.692120 O\n0.997588 0.305468 0.893169 O\n0.192120 0.587701 0.194532 O\n0.104419 0.997588 0.192120 O\n0.002412 0.694532 0.106831 O\n0.807880 0.412299 0.805468 O\n0.895581 0.002412 0.807880 O\n0.606831 0.912299 0.104419 O\n0.194532 0.502412 0.606831 O\n0.393169 0.087701 0.895581 O\n0.805468 0.497588 0.393169 O\n0.893169 0.997588 0.305468 O\n0.395581 0.587701 0.893169 O\n0.106831 0.002412 0.694532 O\n0.604419 0.412299 0.106831 O\n0.395581 0.307880 0.502412 O\n0.587701 0.893169 0.395581 O\n0.604419 0.692120 0.497588 O\n0.412299 0.106831 0.604419 O\n0.104419 0.606831 0.912299 O\n0.997588 0.192120 0.104419 O\n0.895581 0.393169 0.087701 O\n0.002412 0.807880 0.895581 O\n0.305468 0.893169 0.997588 O\n0.912299 0.307880 0.305468 O\n0.694532 0.106831 0.002412 O\n0.087701 0.692120 0.694532 O\n0.194532 0.192120 0.587701 O\n0.502412 0.606831 0.194532 O\n0.805468 0.807880 0.412299 O\n0.497588 0.393169 0.805468 O\n0.307880 0.305468 0.912299 O\n0.692120 0.694532 0.087701 O\n0.192120 0.104419 0.997588 O\n0.807880 0.895581 0.002412 O\n0.893169 0.395581 0.587701 O\n0.106831 0.604419 0.412299 O\n0.606831 0.194532 0.502412 O\n0.393169 0.805468 0.497588 O\n",
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{
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"structure_string": "K8 Li9 Cr4 O16\n1.0\n5.607777 0.000000 0.000000\n0.054718 9.126346 0.000000\n1.644231 0.299700 10.350684\nK Li Cr O\n8 9 4 16\ndirect\n0.826845 0.997076 0.871520 K\n0.890958 0.284847 0.374073 K\n0.625032 0.492964 0.649593 K\n0.353072 0.265070 0.869706 K\n0.649065 0.728136 0.124881 K\n0.358937 0.506839 0.352400 K\n0.104769 0.729360 0.620477 K\n0.168048 0.991583 0.137337 K\n0.927967 0.248669 0.701294 Li\n0.725798 0.516831 0.924381 Li\n0.831184 0.014954 0.558068 Li\n0.580754 0.749030 0.809044 Li\n0.582052 0.028099 0.302770 Li\n0.385929 0.970181 0.706355 Li\n0.411659 0.253257 0.192345 Li\n0.289447 0.488779 0.069696 Li\n0.082411 0.752255 0.304127 Li\n0.828226 0.282417 0.060385 Cr\n0.655868 0.789770 0.446433 Cr\n0.336822 0.202341 0.548990 Cr\n0.170228 0.713227 0.941738 Cr\n0.879348 0.710030 0.869742 O\n0.851879 0.302514 0.885882 O\n0.852852 0.938996 0.375330 O\n0.826442 0.623719 0.416391 O\n0.611008 0.821951 0.619773 O\n0.609688 0.181498 0.625007 O\n0.672155 0.112624 0.120245 O\n0.408833 0.564499 0.888962 O\n0.612055 0.422735 0.119287 O\n0.318687 0.898922 0.878199 O\n0.397965 0.801711 0.364395 O\n0.400736 0.202076 0.374866 O\n0.184360 0.372194 0.591158 O\n0.120082 0.070253 0.634268 O\n0.159420 0.684635 0.125887 O\n0.114378 0.292865 0.119396 O\n",
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