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{
"id": "mp-680327",
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"structure_string": "K12 Ta16 F60\n1.0\n4.135275 0.000000 0.000000\n0.000000 18.595923 0.000000\n0.000000 0.000000 19.975890\nK Ta F\n12 16 60\ndirect\n0.000000 0.860383 0.517494 K\n0.500000 0.452212 0.862875 K\n0.500000 0.659595 0.853587 K\n0.500000 0.642609 0.536931 K\n0.500000 0.139617 0.017494 K\n0.000000 0.357391 0.036931 K\n0.500000 0.179058 0.673653 K\n0.000000 0.340405 0.353587 K\n0.000000 0.547788 0.362875 K\n0.000000 0.820942 0.173653 K\n0.000000 0.036296 0.178250 K\n0.500000 0.963704 0.678250 K\n0.500000 0.243773 0.183457 Ta\n0.000000 0.016627 0.840197 Ta\n0.000000 0.464373 0.549714 Ta\n0.000000 0.495142 0.704586 Ta\n0.000000 0.964880 0.989838 Ta\n0.500000 0.630602 0.160126 Ta\n0.000000 0.242222 0.869090 Ta\n0.000000 0.756227 0.683457 Ta\n0.500000 0.757778 0.369090 Ta\n0.000000 0.854250 0.874330 Ta\n0.500000 0.035120 0.489838 Ta\n0.500000 0.145750 0.374330 Ta\n0.500000 0.983373 0.340197 Ta\n0.000000 0.369398 0.660126 Ta\n0.500000 0.535627 0.049714 Ta\n0.500000 0.504858 0.204586 Ta\n0.500000 0.865482 0.338023 F\n0.000000 0.055780 0.051819 F\n0.000000 0.243976 0.180276 F\n0.500000 0.348489 0.671035 F\n0.000000 0.352828 0.557840 F\n0.000000 0.970862 0.328402 F\n0.500000 0.506950 0.719883 F\n0.500000 0.241928 0.870310 F\n0.000000 0.251100 0.650464 F\n0.500000 0.443116 0.121126 F\n0.500000 0.145043 0.477214 F\n0.000000 0.561960 0.498449 F\n0.500000 0.572779 0.954128 F\n0.000000 0.528986 0.041409 F\n0.500000 0.438040 0.998449 F\n0.500000 0.756024 0.680276 F\n0.000000 0.027364 0.500091 F\n0.500000 0.972636 0.000091 F\n0.500000 0.647172 0.057840 F\n0.000000 0.161453 0.366625 F\n0.500000 0.471014 0.541409 F\n0.000000 0.058816 0.934327 F\n0.000000 0.854957 0.977214 F\n0.500000 0.960399 0.239440 F\n0.500000 0.656691 0.401968 F\n0.000000 0.725282 0.586646 F\n0.500000 0.470621 0.307304 F\n0.500000 0.838547 0.866625 F\n0.000000 0.660840 0.725181 F\n0.000000 0.749222 0.900110 F\n0.000000 0.343309 0.901968 F\n0.500000 0.274718 0.086646 F\n0.000000 0.860656 0.653526 F\n0.500000 0.029138 0.828402 F\n0.500000 0.941184 0.434327 F\n0.500000 0.788681 0.466179 F\n0.000000 0.399492 0.767171 F\n0.000000 0.791538 0.781209 F\n0.000000 0.427221 0.454128 F\n0.000000 0.924660 0.083723 F\n0.000000 0.493050 0.219883 F\n0.000000 0.134518 0.838023 F\n0.500000 0.339160 0.225181 F\n0.500000 0.944220 0.551819 F\n0.500000 0.080723 0.290139 F\n0.500000 0.075340 0.583723 F\n0.000000 0.529379 0.807304 F\n0.000000 0.758072 0.370310 F\n0.500000 0.208462 0.281209 F\n0.000000 0.039601 0.739440 F\n0.500000 0.600508 0.267171 F\n0.000000 0.919277 0.790139 F\n0.500000 0.748900 0.150464 F\n0.000000 0.651511 0.171035 F\n0.000000 0.260497 0.774556 F\n0.500000 0.139344 0.153526 F\n0.000000 0.556884 0.621126 F\n0.500000 0.739503 0.274556 F\n0.000000 0.211319 0.966179 F\n0.500000 0.250778 0.400110 F\n",
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"density_atomic": 0.057286778320724326,
"volume": 1536.131068626785,
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"formula_full": "K12 Ta16 F60",
"formula_reduced": "K3Ta4F15",
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"energy": -581.15923114,
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"updated_at": "2021-11-28T01:34:35.760000Z",
"spacegroup": 31
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{
"id": "mp-1101527",
"created_at": "2022-09-04T14:45:53.887638Z",
"structure_string": "Li2 Cr8 P14 O48\n1.0\n10.174807 0.000000 0.000000\n-2.663292 9.910630 0.000000\n-3.948944 -4.555218 8.864975\nLi Cr P O\n2 8 14 48\ndirect\n0.594548 0.223692 0.629100 Li\n0.405452 0.776308 0.370900 Li\n0.500960 0.899539 0.747023 Cr\n0.002966 0.388449 0.075761 Cr\n0.511088 0.663467 0.885768 Cr\n0.984023 0.829263 0.411819 Cr\n0.015977 0.170737 0.588181 Cr\n0.488912 0.336533 0.114232 Cr\n0.997034 0.611551 0.924239 Cr\n0.499040 0.100461 0.252977 Cr\n0.770970 0.779173 0.774009 P\n0.191891 0.627266 0.433397 P\n0.196327 0.937529 0.258628 P\n0.262865 0.036934 0.758439 P\n0.252205 0.392453 0.522848 P\n0.734665 0.179993 0.118597 P\n0.748048 0.541464 0.052695 P\n0.251952 0.458536 0.947305 P\n0.265335 0.820007 0.881403 P\n0.747795 0.607547 0.477152 P\n0.737135 0.963066 0.241561 P\n0.803673 0.062471 0.741372 P\n0.808109 0.372734 0.566603 P\n0.229030 0.220827 0.225991 P\n0.867394 0.210961 0.876752 O\n0.622528 0.987729 0.659274 O\n0.641975 0.065277 0.954663 O\n0.115457 0.259475 0.128264 O\n0.368641 0.733695 0.532177 O\n0.166571 0.569358 0.272285 O\n0.653788 0.569132 0.922056 O\n0.633604 0.781983 0.802373 O\n0.375039 0.008761 0.700675 O\n0.156510 0.483682 0.469689 O\n0.311287 0.339765 0.401345 O\n0.140001 0.056632 0.204514 O\n0.144205 0.928875 0.371248 O\n0.395860 0.495148 0.672324 O\n0.874189 0.502029 0.011540 O\n0.086543 0.697178 0.463099 O\n0.871650 0.319958 0.161167 O\n0.338511 0.175029 0.906103 O\n0.185073 0.893957 0.781094 O\n0.145711 0.247406 0.504127 O\n0.119549 0.026207 0.627009 O\n0.376214 0.779460 0.819334 O\n0.364748 0.595330 0.952803 O\n0.835448 0.677824 0.207611 O\n0.164552 0.322176 0.792389 O\n0.635252 0.404670 0.047197 O\n0.623786 0.220540 0.180666 O\n0.880451 0.973793 0.372991 O\n0.854289 0.752594 0.495873 O\n0.814927 0.106043 0.218906 O\n0.661489 0.824971 0.093897 O\n0.128350 0.680042 0.838833 O\n0.913457 0.302822 0.536901 O\n0.125811 0.497971 0.988460 O\n0.604140 0.504852 0.327676 O\n0.855795 0.071125 0.628752 O\n0.859999 0.943368 0.795486 O\n0.688713 0.660235 0.598655 O\n0.843490 0.516318 0.530311 O\n0.624961 0.991239 0.299325 O\n0.366396 0.218017 0.197627 O\n0.346212 0.430868 0.077944 O\n0.833429 0.430642 0.727715 O\n0.631359 0.266305 0.467823 O\n0.884543 0.740525 0.871736 O\n0.358025 0.934723 0.045337 O\n0.377472 0.012271 0.340726 O\n0.132606 0.789039 0.123248 O\n",
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"formula_reduced": "LiCr4P7O24",
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"updated_at": "2021-11-28T01:37:08.510000Z",
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{
"id": "mp-15919",
"created_at": "2022-09-04T14:40:19.846182Z",
"structure_string": "Be12 Ag12 P12 O48\n1.0\n7.996865 0.000000 0.000000\n0.000000 8.329699 0.000000\n0.000000 8.279367 14.618781\nBe Ag P O\n12 12 12 48\ndirect\n0.173054 0.985099 0.418601 Be\n0.829096 0.657537 0.908849 Be\n0.329096 0.342463 0.591151 Be\n0.170904 0.342463 0.091151 Be\n0.670904 0.657537 0.408849 Be\n0.826946 0.014901 0.581399 Be\n0.326946 0.985099 0.918601 Be\n0.673054 0.014901 0.081399 Be\n0.825737 0.320347 0.758034 Be\n0.325737 0.679653 0.741966 Be\n0.174263 0.679653 0.241966 Be\n0.674263 0.320347 0.258034 Be\n0.985711 0.277266 0.935454 Ag\n0.485711 0.722734 0.564546 Ag\n0.014289 0.722734 0.064546 Ag\n0.514289 0.277266 0.435454 Ag\n0.519549 0.364325 0.914367 Ag\n0.019549 0.635675 0.585633 Ag\n0.480451 0.635675 0.085633 Ag\n0.980451 0.364325 0.414367 Ag\n0.993138 0.998153 0.752124 Ag\n0.493138 0.001847 0.747876 Ag\n0.006862 0.001847 0.247876 Ag\n0.506862 0.998153 0.252124 Ag\n0.705354 0.340537 0.589538 P\n0.205354 0.659463 0.910462 P\n0.294646 0.659463 0.410462 P\n0.794646 0.340537 0.089538 P\n0.703549 0.977848 0.917645 P\n0.203549 0.022152 0.582355 P\n0.296451 0.022152 0.082355 P\n0.796451 0.977848 0.417645 P\n0.707795 0.679783 0.738058 P\n0.207795 0.320217 0.761942 P\n0.292205 0.320217 0.261942 P\n0.792205 0.679783 0.238058 P\n0.524205 0.382091 0.606413 O\n0.324905 0.615463 0.850786 O\n0.175095 0.615463 0.350786 O\n0.675095 0.384537 0.149214 O\n0.821528 0.811375 0.942812 O\n0.321528 0.188625 0.557188 O\n0.178472 0.188625 0.057188 O\n0.678472 0.811375 0.442812 O\n0.745893 0.461690 0.987121 O\n0.321597 0.205475 0.845893 O\n0.178403 0.205475 0.345893 O\n0.678403 0.794525 0.154107 O\n0.977881 0.720281 0.205428 O\n0.477881 0.279719 0.294572 O\n0.022119 0.279719 0.794572 O\n0.522119 0.720281 0.705428 O\n0.979623 0.907880 0.433195 O\n0.824905 0.384537 0.649214 O\n0.479623 0.092120 0.066805 O\n0.020377 0.092120 0.566805 O\n0.520377 0.907880 0.933195 O\n0.975795 0.382091 0.106413 O\n0.475795 0.617909 0.393587 O\n0.024205 0.617909 0.893587 O\n0.768012 0.740473 0.311249 O\n0.268012 0.259527 0.188751 O\n0.231988 0.259527 0.688751 O\n0.731988 0.740473 0.811249 O\n0.773362 0.123718 0.315596 O\n0.273362 0.876282 0.184404 O\n0.226638 0.876282 0.684404 O\n0.726638 0.123718 0.815596 O\n0.780643 0.133006 0.117870 O\n0.280643 0.866994 0.382130 O\n0.219357 0.866994 0.882130 O\n0.719357 0.133006 0.617870 O\n0.754631 0.471965 0.281004 O\n0.254631 0.528035 0.218996 O\n0.245369 0.528035 0.718996 O\n0.745369 0.471965 0.781004 O\n0.753615 0.061568 0.479928 O\n0.253615 0.938432 0.020072 O\n0.246385 0.938432 0.520072 O\n0.746385 0.061568 0.979928 O\n0.754107 0.461690 0.487121 O\n0.254107 0.538310 0.012879 O\n0.245893 0.538310 0.512879 O\n0.821597 0.794525 0.654107 O\n",
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{
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"structure_string": "Na8 Al8 Si12 H16 O48\n1.0\n9.028831 0.000000 0.000000\n-4.483245 8.634837 0.000000\n-1.449174 -0.959268 15.733593\nNa Al Si H O\n8 8 12 16 48\ndirect\n0.641355 0.153265 0.167293 Na\n0.629294 0.588826 0.165813 Na\n0.308909 0.369718 0.299594 Na\n0.525484 0.899335 0.518855 Na\n0.913960 0.797826 0.703964 Na\n0.546191 0.506539 0.668506 Na\n0.122799 0.738888 0.528727 Na\n0.022429 0.469986 0.892406 Na\n0.299064 0.688766 0.163554 Al\n0.980235 0.330724 0.451929 Al\n0.672483 0.346223 0.359162 Al\n0.488276 0.824635 0.952848 Al\n0.871551 0.033323 0.970750 Al\n0.702320 0.131870 0.829709 Al\n0.452138 0.225332 0.518725 Al\n0.534699 0.186674 0.965158 Al\n0.046535 0.118240 0.138338 Si\n0.935728 0.024674 0.538414 Si\n0.232341 0.207518 0.033546 Si\n0.553081 0.729646 0.324349 Si\n0.658066 0.787098 0.835468 Si\n0.302506 0.690936 0.750807 Si\n0.211201 0.088906 0.597803 Si\n0.935680 0.810808 0.338250 Si\n0.069443 0.824615 0.216632 Si\n0.940541 0.554138 0.087474 Si\n0.319265 0.000889 0.773099 Si\n0.814043 0.466717 0.555523 Si\n0.945253 0.597894 0.998594 H\n0.832533 0.866626 0.495596 H\n0.165832 0.533709 0.760670 H\n0.395671 0.598540 0.432976 H\n0.041831 0.958616 0.390470 H\n0.905011 0.271340 0.290811 H\n0.564749 0.146331 0.665610 H\n0.261211 0.457869 0.025879 H\n0.560562 0.889197 0.320976 H\n0.919345 0.685271 0.397048 H\n0.861538 0.315620 0.733028 H\n0.205675 0.074105 0.884649 H\n0.699560 0.952617 0.702466 H\n0.486027 0.071010 0.311025 H\n0.853142 0.175624 0.924781 H\n0.710799 0.512416 0.848687 H\n0.512499 0.070549 0.751584 O\n0.847258 0.634607 0.587005 O\n0.749460 0.405565 0.098675 O\n0.864592 0.040059 0.081065 O\n0.873143 0.359904 0.361551 O\n0.429136 0.640323 0.232214 O\n0.893957 0.184280 0.248010 O\n0.534685 0.177823 0.295415 O\n0.564451 0.560666 0.363039 O\n0.731010 0.275061 0.039740 O\n0.981985 0.462424 0.530973 O\n0.391548 0.171820 0.036025 O\n0.751750 0.454700 0.889154 O\n0.723955 0.361647 0.640358 O\n0.632371 0.488068 0.303056 O\n0.883941 0.142137 0.487878 O\n0.320147 0.396870 0.017782 O\n0.353968 0.246231 0.417184 O\n0.626902 0.291069 0.871366 O\n0.737476 0.961688 0.801822 O\n0.085989 0.092483 0.955575 O\n0.700068 0.947432 0.638507 O\n0.654572 0.356474 0.477950 O\n0.700348 0.832682 0.943243 O\n0.607904 0.196804 0.609023 O\n0.420790 0.763852 0.068621 O\n0.105494 0.535318 0.118603 O\n0.879892 0.279039 0.787789 O\n0.306857 0.018072 0.536414 O\n0.704993 0.665050 0.794183 O\n0.246871 0.821250 0.212494 O\n0.350166 0.274391 0.598839 O\n0.311189 0.091598 0.860158 O\n0.185782 0.217938 0.421122 O\n0.756973 0.804462 0.299516 O\n0.443015 0.705079 0.414099 O\n0.922850 0.686710 0.146461 O\n0.552111 0.019554 0.930343 O\n0.428435 0.668761 0.682130 O\n0.191425 0.376262 0.432317 O\n0.089080 0.992252 0.187016 O\n0.312781 0.736830 0.645076 O\n0.448654 0.726473 0.840663 O\n0.296550 0.688627 0.987207 O\n0.056856 0.252745 0.210020 O\n0.231682 0.812157 0.786278 O\n0.197261 0.016797 0.693459 O\n0.884024 0.007715 0.639038 O\n",
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{
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