{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=57","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=55","results":[{"id":"mp-699658","created_at":"2022-09-04T14:44:28.147636Z","structure_string":"Na32 V8 S24 O104\n1.0\n16.184127 0.000000 0.000000\n0.000000 8.747410 0.000000\n0.000000 0.000177 15.679760\nNa V S O\n32 8 24 104\ndirect\n0.087155 0.352822 0.245186 Na\n0.280545 0.316185 0.467907 Na\n0.217283 0.677613 0.811439 Na\n0.716372 0.813899 0.819845 Na\n0.921173 0.211748 0.728143 Na\n0.578827 0.211748 0.228143 Na\n0.951860 0.306242 0.990210 Na\n0.717283 0.322387 0.688561 Na\n0.570108 0.835071 0.008771 Na\n0.078827 0.788252 0.271857 Na\n0.216372 0.186101 0.680155 Na\n0.587155 0.647178 0.254814 Na\n0.783628 0.813899 0.319845 Na\n0.912845 0.647178 0.754814 Na\n0.721046 0.146938 0.969658 Na\n0.421173 0.788252 0.771857 Na\n0.070108 0.164929 0.491229 Na\n0.283628 0.186101 0.180155 Na\n0.451860 0.693758 0.509790 Na\n0.719455 0.683815 0.532093 Na\n0.548140 0.306242 0.490210 Na\n0.780545 0.683815 0.032093 Na\n0.429892 0.164929 0.991229 Na\n0.929892 0.835071 0.508771 Na\n0.412845 0.352822 0.745186 Na\n0.278954 0.853062 0.030342 Na\n0.048140 0.693758 0.009790 Na\n0.778954 0.146938 0.469658 Na\n0.282717 0.677613 0.311439 Na\n0.221046 0.853062 0.530342 Na\n0.219455 0.316185 0.967907 Na\n0.782717 0.322387 0.188561 Na\n0.078854 0.027025 0.868940 V\n0.574480 0.473064 0.860846 V\n0.921146 0.972975 0.131060 V\n0.578854 0.972975 0.631060 V\n0.421146 0.027025 0.368940 V\n0.425520 0.526936 0.139154 V\n0.925520 0.473064 0.360846 V\n0.074480 0.526936 0.639154 V\n0.547117 0.062035 0.840061 S\n0.601451 0.908153 0.425399 S\n0.221098 0.054577 0.340914 S\n0.721098 0.945423 0.159086 S\n0.279027 0.561384 0.634594 S\n0.779027 0.438616 0.865406 S\n0.952883 0.062035 0.340061 S\n0.424432 0.427225 0.339101 S\n0.220973 0.561384 0.134594 S\n0.398549 0.091847 0.574601 S\n0.898549 0.908153 0.925399 S\n0.612580 0.460345 0.061403 S\n0.778902 0.945423 0.659086 S\n0.047117 0.937965 0.659939 S\n0.452883 0.937965 0.159939 S\n0.575568 0.572775 0.660899 S\n0.101451 0.091847 0.074601 S\n0.075568 0.427225 0.839101 S\n0.924432 0.572775 0.160899 S\n0.720973 0.438616 0.365406 S\n0.112580 0.539655 0.438597 S\n0.278902 0.054577 0.840914 S\n0.887420 0.460345 0.561403 S\n0.387420 0.539655 0.938597 S\n0.724576 0.601379 0.388935 O\n0.327603 0.583237 0.714142 O\n0.102311 0.138252 0.979881 O\n0.326101 0.170010 0.794124 O\n0.957367 0.729377 0.179889 O\n0.527064 0.229160 0.844317 O\n0.827603 0.416763 0.785858 O\n0.603597 0.651462 0.870218 O\n0.567390 0.399086 0.983810 O\n0.957207 0.042283 0.914362 O\n0.397689 0.138252 0.479881 O\n0.457367 0.270623 0.320111 O\n0.969689 0.008722 0.250024 O\n0.294043 0.899773 0.807591 O\n0.570144 0.775653 0.379692 O\n0.449508 0.533795 0.865762 O\n0.687540 0.345074 0.435860 O\n0.826101 0.829990 0.705876 O\n0.866411 0.032395 0.364998 O\n0.677252 0.350768 0.084135 O\n0.133589 0.967605 0.635002 O\n0.812110 0.904858 0.177583 O\n0.315112 0.042661 0.597450 O\n0.489589 0.976526 0.896306 O\n0.187540 0.654926 0.064140 O\n0.705957 0.100227 0.192409 O\n0.207008 0.063356 0.434509 O\n0.469689 0.991278 0.249976 O\n0.070144 0.224347 0.120308 O\n0.010411 0.976526 0.396306 O\n0.972936 0.229160 0.344317 O\n0.177252 0.649232 0.415865 O\n0.450521 0.533136 0.266730 O\n0.833536 0.570908 0.156262 O\n0.037166 0.484770 0.917716 O\n0.429856 0.224347 0.620308 O\n0.822748 0.350768 0.584135 O\n0.356578 0.385268 0.953880 O\n0.472936 0.770840 0.155683 O\n0.184888 0.042661 0.097450 O\n0.042793 0.957717 0.085638 O\n0.030311 0.991278 0.749976 O\n0.312460 0.654926 0.564140 O\n0.510411 0.023474 0.103694 O\n0.396403 0.348538 0.129782 O\n0.049479 0.533136 0.766730 O\n0.166464 0.429092 0.843738 O\n0.607481 0.146777 0.604147 O\n0.275424 0.398621 0.611065 O\n0.107481 0.853223 0.895853 O\n0.892519 0.146777 0.104147 O\n0.542633 0.729377 0.679889 O\n0.312110 0.095142 0.322417 O\n0.815112 0.957339 0.902550 O\n0.549479 0.466864 0.733270 O\n0.775424 0.601379 0.888935 O\n0.792992 0.936644 0.565491 O\n0.812460 0.345074 0.935860 O\n0.224576 0.398621 0.111065 O\n0.292992 0.063356 0.934509 O\n0.896403 0.651462 0.370218 O\n0.067390 0.600914 0.516190 O\n0.897689 0.861748 0.020119 O\n0.432610 0.600914 0.016190 O\n0.643422 0.614732 0.046120 O\n0.949508 0.466205 0.634238 O\n0.809214 0.380186 0.345588 O\n0.989589 0.023474 0.603694 O\n0.333536 0.429092 0.343738 O\n0.322748 0.649232 0.915865 O\n0.462834 0.484770 0.417716 O\n0.856578 0.614732 0.546120 O\n0.684888 0.957339 0.402550 O\n0.143422 0.385268 0.453880 O\n0.027064 0.770840 0.655683 O\n0.366411 0.967605 0.135002 O\n0.542793 0.042283 0.414362 O\n0.673899 0.829990 0.205876 O\n0.457207 0.957717 0.585638 O\n0.205957 0.899773 0.307591 O\n0.050492 0.533795 0.365762 O\n0.633589 0.032395 0.864998 O\n0.794043 0.100227 0.692409 O\n0.309214 0.619814 0.154412 O\n0.190786 0.619814 0.654412 O\n0.950521 0.466864 0.233270 O\n0.929856 0.775653 0.879692 O\n0.042633 0.270623 0.820111 O\n0.537166 0.515230 0.582284 O\n0.666464 0.570908 0.656262 O\n0.962834 0.515230 0.082284 O\n0.707008 0.936644 0.065491 O\n0.672397 0.416763 0.285858 O\n0.602311 0.861748 0.520119 O\n0.173899 0.170010 0.294124 O\n0.932610 0.399086 0.483810 O\n0.550492 0.466205 0.134238 O\n0.690786 0.380186 0.845588 O\n0.530311 0.008722 0.750024 O\n0.392519 0.853223 0.395853 O\n0.687890 0.904858 0.677583 O\n0.187890 0.095142 0.822417 O\n0.172397 0.583237 0.214142 O\n0.103597 0.348538 0.629782 O\n","nsites":168,"nelements":4,"elements":["Na","V","S","O"],"chemical_system":"Na-O-S-V","density":2.675615540974507,"density_atomic":0.07568348297326556,"volume":2219.770990974931,"volume_molar":7.95700795393793,"formula_full":"Na32 V8 S24 O104","formula_reduced":"Na4VS3O13","formula_anonymous":"AB3C4D13","energy":-1095.51913121,"energy_per_atom":-6.520947209583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1010.47113121,"band_gap":2.6285,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.3239369,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.277000Z","spacegroup":14},{"id":"mp-683974","created_at":"2022-09-04T14:46:15.235167Z","structure_string":"Pr24 Se36 O108\n1.0\n7.154285 0.000000 0.000000\n0.000000 17.092152 0.000000\n0.000000 4.586310 21.521246\nPr Se O\n24 36 108\ndirect\n0.332854 0.601042 0.947543 Pr\n0.328117 0.177104 0.738107 Pr\n0.351781 0.863524 0.087529 Pr\n0.320584 0.264571 0.286745 Pr\n0.858240 0.539779 0.862870 Pr\n0.641760 0.039779 0.362870 Pr\n0.851781 0.636476 0.412471 Pr\n0.648219 0.136476 0.912471 Pr\n0.667146 0.398958 0.052457 Pr\n0.828117 0.322896 0.761893 Pr\n0.148823 0.032764 0.910914 Pr\n0.648823 0.467236 0.589086 Pr\n0.179416 0.764571 0.786745 Pr\n0.358240 0.960221 0.637130 Pr\n0.851177 0.967236 0.089086 Pr\n0.148219 0.363524 0.587529 Pr\n0.167146 0.101042 0.447543 Pr\n0.141760 0.460221 0.137130 Pr\n0.171883 0.677104 0.238107 Pr\n0.671883 0.822896 0.261893 Pr\n0.832854 0.898958 0.552457 Pr\n0.679416 0.735429 0.713255 Pr\n0.820584 0.235429 0.213255 Pr\n0.351177 0.532764 0.410914 Pr\n0.616877 0.695702 0.549241 Se\n0.091453 0.461524 0.290777 Se\n0.908547 0.538476 0.709223 Se\n0.854558 0.931246 0.699467 Se\n0.591453 0.038476 0.209223 Se\n0.193970 0.739583 0.637764 Se\n0.321935 0.897029 0.484318 Se\n0.145442 0.068754 0.300533 Se\n0.579095 0.365157 0.886768 Se\n0.832461 0.766556 0.103992 Se\n0.667539 0.266556 0.603992 Se\n0.824705 0.108744 0.769292 Se\n0.354558 0.568754 0.800533 Se\n0.818869 0.433927 0.446321 Se\n0.806030 0.260417 0.362236 Se\n0.821935 0.602971 0.015682 Se\n0.116877 0.804298 0.950759 Se\n0.167539 0.233444 0.896008 Se\n0.306030 0.239583 0.137764 Se\n0.324705 0.391256 0.730708 Se\n0.681131 0.933927 0.946321 Se\n0.181131 0.566073 0.553679 Se\n0.883123 0.195702 0.049241 Se\n0.645442 0.431246 0.199467 Se\n0.332461 0.733444 0.396008 Se\n0.920905 0.865157 0.386768 Se\n0.678065 0.102971 0.515682 Se\n0.408547 0.961524 0.790777 Se\n0.175295 0.891256 0.230708 Se\n0.079095 0.134843 0.613232 Se\n0.693970 0.760417 0.862236 Se\n0.420905 0.634843 0.113232 Se\n0.383123 0.304298 0.450759 Se\n0.318869 0.066073 0.053679 Se\n0.178065 0.397029 0.984318 Se\n0.675295 0.608744 0.269292 Se\n0.523233 0.012645 0.725691 O\n0.515200 0.565898 0.860457 O\n0.164692 0.302571 0.173542 O\n0.589578 0.603887 0.598586 O\n0.826085 0.389158 0.161594 O\n0.858511 0.664703 0.291996 O\n0.639958 0.885203 0.021528 O\n0.988512 0.598088 0.959759 O\n0.330321 0.492711 0.532791 O\n0.510874 0.684842 0.259964 O\n0.170005 0.222774 0.627601 O\n0.201602 0.745897 0.899913 O\n0.669679 0.507289 0.467209 O\n0.511488 0.098088 0.459759 O\n0.774569 0.459899 0.693330 O\n0.490821 0.337813 0.582852 O\n0.811898 0.681449 0.508489 O\n0.420292 0.803596 0.337787 O\n0.188102 0.318551 0.491511 O\n0.977381 0.280490 0.304217 O\n0.522619 0.780490 0.804217 O\n0.754653 0.591302 0.746723 O\n0.015200 0.934102 0.639543 O\n0.103849 0.156799 0.247486 O\n0.023233 0.487355 0.774309 O\n0.798398 0.254103 0.100087 O\n0.634856 0.552312 0.342966 O\n0.298398 0.245897 0.399913 O\n0.829995 0.777226 0.372399 O\n0.114457 0.464345 0.918197 O\n0.079708 0.303596 0.837787 O\n0.989126 0.184842 0.759964 O\n0.725431 0.959899 0.193330 O\n0.579708 0.196404 0.662213 O\n0.347916 0.456793 0.009735 O\n0.225431 0.540101 0.306670 O\n0.010874 0.815158 0.240036 O\n0.311444 0.174120 0.857677 O\n0.506405 0.003934 0.077598 O\n0.006405 0.496066 0.422402 O\n0.022619 0.719510 0.695783 O\n0.847916 0.043207 0.490265 O\n0.641489 0.164703 0.791996 O\n0.358511 0.835297 0.208004 O\n0.673915 0.889158 0.661594 O\n0.745347 0.091302 0.246723 O\n0.688102 0.181449 0.008489 O\n0.139958 0.614797 0.478472 O\n0.326085 0.110842 0.338406 O\n0.011488 0.401912 0.040241 O\n0.311898 0.818551 0.991511 O\n0.885543 0.535655 0.081803 O\n0.984800 0.065898 0.360457 O\n0.865144 0.052312 0.842966 O\n0.285210 0.609591 0.055348 O\n0.094765 0.802869 0.577174 O\n0.652084 0.543207 0.990265 O\n0.688556 0.825880 0.142323 O\n0.603849 0.343201 0.252514 O\n0.701602 0.754103 0.600087 O\n0.180606 0.073297 0.676488 O\n0.785210 0.890409 0.444652 O\n0.990821 0.162187 0.917148 O\n0.489126 0.315158 0.740036 O\n0.484800 0.434102 0.139543 O\n0.476767 0.987355 0.274309 O\n0.329995 0.722774 0.127601 O\n0.664692 0.197429 0.326458 O\n0.385543 0.964345 0.418197 O\n0.835308 0.697429 0.826458 O\n0.594765 0.697131 0.922826 O\n0.173915 0.610842 0.838406 O\n0.410422 0.396113 0.401414 O\n0.830321 0.007289 0.967209 O\n0.493595 0.996066 0.922402 O\n0.905235 0.197131 0.422826 O\n0.920292 0.696404 0.162213 O\n0.614457 0.035655 0.581803 O\n0.819394 0.926703 0.323512 O\n0.896151 0.843201 0.752514 O\n0.009179 0.837813 0.082852 O\n0.976767 0.512645 0.225691 O\n0.396151 0.656799 0.747486 O\n0.245347 0.408698 0.253277 O\n0.214790 0.109591 0.555348 O\n0.365144 0.447688 0.657034 O\n0.811444 0.325880 0.642323 O\n0.670005 0.277226 0.872399 O\n0.405235 0.302869 0.077174 O\n0.993595 0.503934 0.577598 O\n0.188556 0.674120 0.357677 O\n0.274569 0.040101 0.806670 O\n0.254653 0.908698 0.753277 O\n0.714790 0.390409 0.944652 O\n0.860042 0.385203 0.521528 O\n0.477381 0.219510 0.195783 O\n0.319394 0.573297 0.176488 O\n0.141489 0.335297 0.708004 O\n0.089578 0.896113 0.901414 O\n0.152084 0.956793 0.509735 O\n0.335308 0.802571 0.673542 O\n0.910422 0.103887 0.098586 O\n0.360042 0.114797 0.978472 O\n0.509179 0.662187 0.417148 O\n0.680606 0.426703 0.823512 O\n0.488512 0.901912 0.540241 O\n0.134856 0.947688 0.157034 O\n0.169679 0.992711 0.032791 O\n","nsites":168,"nelements":3,"elements":["Pr","Se","O"],"chemical_system":"O-Pr-Se","density":5.017764795664345,"density_atomic":0.06383794331965564,"volume":2631.6637294966386,"volume_molar":9.433481792866262,"formula_full":"Pr24 Se36 O108","formula_reduced":"Pr2(SeO3)3","formula_anonymous":"A2B3C9","energy":-1159.64646464,"energy_per_atom":-6.902657527619048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1085.45046464,"band_gap":3.4481,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002514,"is_theoretical":false,"updated_at":"2021-11-28T01:37:27.909000Z","spacegroup":14},{"id":"mp-765026","created_at":"2022-09-04T14:41:25.474496Z","structure_string":"Li24 Co24 Si24 O96\n1.0\n4.942275 -8.560272 0.000000\n4.942275 8.560272 0.000000\n0.000000 0.000000 24.167838\nLi Co Si O\n24 24 24 96\ndirect\n0.022808 0.974227 0.695494 Li\n0.035140 0.584388 0.035376 Li\n0.059370 0.456411 0.191902 Li\n0.051608 0.474523 0.847572 Li\n0.397041 0.940630 0.858569 Li\n0.422915 0.948392 0.514239 Li\n0.025773 0.048582 0.028827 Li\n0.048582 0.022808 0.862161 Li\n0.549247 0.964860 0.702042 Li\n0.415612 0.450753 0.368709 Li\n0.525477 0.577085 0.180906 Li\n0.543589 0.602959 0.525235 Li\n0.456411 0.397041 0.025235 Li\n0.474523 0.422915 0.680906 Li\n0.584388 0.549247 0.868709 Li\n0.450753 0.035140 0.202042 Li\n0.951418 0.977192 0.362161 Li\n0.974227 0.951418 0.528827 Li\n0.577085 0.051608 0.014239 Li\n0.602959 0.059370 0.358569 Li\n0.948392 0.525477 0.347572 Li\n0.940630 0.543589 0.691902 Li\n0.964860 0.415612 0.535376 Li\n0.977192 0.025773 0.195494 Li\n0.098149 0.820346 0.270908 Co\n0.080942 0.752042 0.916570 Co\n0.116237 0.742501 0.592905 Co\n0.305046 0.665589 0.754774 Co\n0.334411 0.639456 0.088107 Co\n0.360544 0.694954 0.421441 Co\n0.179654 0.277803 0.604241 Co\n0.257499 0.373736 0.926239 Co\n0.247958 0.328900 0.249904 Co\n0.626264 0.883763 0.259572 Co\n0.671100 0.919058 0.583237 Co\n0.277803 0.098149 0.437574 Co\n0.722197 0.901851 0.937574 Co\n0.328900 0.080942 0.083237 Co\n0.373736 0.116237 0.759572 Co\n0.752042 0.671100 0.749904 Co\n0.742501 0.626264 0.426239 Co\n0.820346 0.722197 0.104241 Co\n0.639456 0.305046 0.921441 Co\n0.665589 0.360544 0.588107 Co\n0.694954 0.334411 0.254774 Co\n0.883763 0.257499 0.092905 Co\n0.919058 0.247958 0.416570 Co\n0.901851 0.179654 0.770908 Co\n0.086393 0.783895 0.788205 Si\n0.074868 0.750258 0.466596 Si\n0.135665 0.770635 0.141575 Si\n0.278392 0.644638 0.296663 Si\n0.366245 0.721608 0.963329 Si\n0.355362 0.633755 0.629996 Si\n0.229365 0.365029 0.474908 Si\n0.216105 0.302497 0.121538 Si\n0.249742 0.324610 0.799930 Si\n0.634971 0.864335 0.808242 Si\n0.675390 0.925132 0.133263 Si\n0.697503 0.913607 0.454872 Si\n0.302497 0.086393 0.954872 Si\n0.324610 0.074868 0.633263 Si\n0.365029 0.135665 0.308242 Si\n0.750258 0.675390 0.299930 Si\n0.783895 0.697503 0.621538 Si\n0.770635 0.634971 0.974908 Si\n0.644638 0.366245 0.129996 Si\n0.633755 0.278392 0.463329 Si\n0.721608 0.355362 0.796663 Si\n0.864335 0.229365 0.641575 Si\n0.925132 0.249742 0.966596 Si\n0.913607 0.216105 0.288205 Si\n0.022610 0.761834 0.089812 O\n0.099031 0.928397 0.471469 O\n0.020277 0.676621 0.844996 O\n0.133593 0.962610 0.926116 O\n0.039459 0.750173 0.198709 O\n0.009614 0.661336 0.526411 O\n0.237417 0.953260 0.806708 O\n0.128980 0.671929 0.306395 O\n0.124821 0.680337 0.744617 O\n0.296002 0.944828 0.584984 O\n0.301626 0.940050 0.138374 O\n0.174921 0.628236 0.135105 O\n0.249089 0.771031 0.457145 O\n0.187671 0.609107 0.608301 O\n0.059950 0.361576 0.471707 O\n0.276863 0.767643 0.915966 O\n0.055172 0.351173 0.918318 O\n0.046740 0.284158 0.140041 O\n0.037390 0.170983 0.259450 O\n0.071603 0.170634 0.804803 O\n0.265939 0.676192 0.021296 O\n0.232357 0.509221 0.249300 O\n0.323808 0.589746 0.354629 O\n0.228969 0.478058 0.790478 O\n0.410254 0.734061 0.687962 O\n0.421436 0.812329 0.274968 O\n0.453315 0.825079 0.801772 O\n0.319663 0.444484 0.077951 O\n0.328071 0.457052 0.639728 O\n0.371764 0.546685 0.468438 O\n0.249827 0.289285 0.532043 O\n0.390893 0.578564 0.941635 O\n0.490779 0.723137 0.582633 O\n0.542948 0.871020 0.973062 O\n0.555516 0.875179 0.411284 O\n0.170983 0.133593 0.092783 O\n0.238166 0.260776 0.423145 O\n0.323379 0.343656 0.178329 O\n0.170634 0.099031 0.638136 O\n0.338664 0.348278 0.859744 O\n0.521942 0.750911 0.123812 O\n0.284158 0.237417 0.973374 O\n0.651722 0.990386 0.193078 O\n0.351173 0.296002 0.751651 O\n0.361576 0.301626 0.305040 O\n0.656344 0.979723 0.511663 O\n0.710715 0.960541 0.865376 O\n0.260776 0.022610 0.256478 O\n0.739224 0.977390 0.756478 O\n0.289285 0.039459 0.365376 O\n0.343656 0.020277 0.011663 O\n0.638424 0.698374 0.805040 O\n0.648827 0.703998 0.251651 O\n0.348278 0.009614 0.693078 O\n0.715842 0.762583 0.473374 O\n0.478058 0.249089 0.623812 O\n0.661336 0.651722 0.359744 O\n0.829366 0.900969 0.138136 O\n0.676621 0.656344 0.678329 O\n0.761834 0.739224 0.923145 O\n0.829017 0.866407 0.592783 O\n0.444484 0.124821 0.911284 O\n0.457052 0.128980 0.473062 O\n0.509221 0.276863 0.082633 O\n0.609107 0.421436 0.441635 O\n0.750173 0.710715 0.032043 O\n0.628236 0.453315 0.968438 O\n0.671929 0.542948 0.139728 O\n0.680337 0.555516 0.577951 O\n0.546685 0.174921 0.301772 O\n0.578564 0.187671 0.774968 O\n0.589746 0.265939 0.187962 O\n0.771031 0.521942 0.290478 O\n0.676192 0.410254 0.854629 O\n0.767643 0.490779 0.749300 O\n0.734061 0.323808 0.521296 O\n0.928397 0.829366 0.304803 O\n0.962610 0.829017 0.759450 O\n0.953260 0.715842 0.640041 O\n0.944828 0.648827 0.418318 O\n0.723137 0.232357 0.415966 O\n0.940050 0.638424 0.971707 O\n0.812329 0.390893 0.108301 O\n0.750911 0.228969 0.957145 O\n0.825079 0.371764 0.635105 O\n0.698374 0.059950 0.638374 O\n0.703998 0.055172 0.084984 O\n0.875179 0.319663 0.244617 O\n0.871020 0.328071 0.806395 O\n0.762583 0.046740 0.306708 O\n0.990386 0.338664 0.026411 O\n0.960541 0.249827 0.698709 O\n0.866407 0.037390 0.426116 O\n0.979723 0.323379 0.344996 O\n0.900969 0.071603 0.971469 O\n0.977390 0.238166 0.589812 O\n","nsites":168,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":3.0783483162859566,"density_atomic":0.0821536783899257,"volume":2044.947996152068,"volume_molar":7.3303361188736265,"formula_full":"Li24 Co24 Si24 O96","formula_reduced":"LiCoSiO4","formula_anonymous":"ABCD4","energy":-1206.40299515,"energy_per_atom":-7.1809702092261904,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1101.13899515,"band_gap":1.3236,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":95.9998731,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.248000Z","spacegroup":169},{"id":"mp-1196553","created_at":"2022-09-04T14:45:36.857464Z","structure_string":"Nb26 Co80 Si62\n1.0\n8.576652 -14.855197 0.000000\n8.576652 14.855197 0.000000\n0.000000 0.000000 7.873634\nNb Co Si\n26 80 62\ndirect\n0.727326 0.727326 0.702097 Nb\n0.272674 0.000000 0.702097 Nb\n0.000000 0.272674 0.702097 Nb\n0.272674 0.272674 0.702097 Nb\n0.727326 0.000000 0.702097 Nb\n0.000000 0.727326 0.702097 Nb\n0.272674 0.272674 0.297903 Nb\n0.727326 0.000000 0.297903 Nb\n0.000000 0.727326 0.297903 Nb\n0.727326 0.727326 0.297903 Nb\n0.272674 0.000000 0.297903 Nb\n0.000000 0.272674 0.297903 Nb\n0.423019 0.576981 0.500000 Nb\n0.423019 0.846038 0.500000 Nb\n0.153962 0.576981 0.500000 Nb\n0.576981 0.423019 0.500000 Nb\n0.846038 0.423019 0.500000 Nb\n0.576981 0.153962 0.500000 Nb\n0.756088 0.243912 0.000000 Nb\n0.756088 0.512176 0.000000 Nb\n0.487824 0.243912 0.000000 Nb\n0.243912 0.756088 0.000000 Nb\n0.512176 0.756088 0.000000 Nb\n0.243912 0.487824 0.000000 Nb\n0.000000 0.000000 0.800403 Nb\n0.000000 0.000000 0.199597 Nb\n0.897121 0.342251 0.771206 Co\n0.657749 0.554870 0.771206 Co\n0.445130 0.102879 0.771206 Co\n0.342251 0.897121 0.771206 Co\n0.554870 0.657749 0.771206 Co\n0.102879 0.445130 0.771206 Co\n0.102879 0.657749 0.771206 Co\n0.342251 0.445130 0.771206 Co\n0.554870 0.897121 0.771206 Co\n0.657749 0.102879 0.771206 Co\n0.445130 0.342251 0.771206 Co\n0.897121 0.554870 0.771206 Co\n0.102879 0.657749 0.228794 Co\n0.342251 0.445130 0.228794 Co\n0.554870 0.897121 0.228794 Co\n0.657749 0.102879 0.228794 Co\n0.445130 0.342251 0.228794 Co\n0.897121 0.554870 0.228794 Co\n0.897121 0.342251 0.228794 Co\n0.657749 0.554870 0.228794 Co\n0.445130 0.102879 0.228794 Co\n0.342251 0.897121 0.228794 Co\n0.554870 0.657749 0.228794 Co\n0.102879 0.445130 0.228794 Co\n0.914528 0.235551 0.000000 Co\n0.764449 0.678977 0.000000 Co\n0.321023 0.085472 0.000000 Co\n0.235551 0.914528 0.000000 Co\n0.678977 0.764449 0.000000 Co\n0.085472 0.321023 0.000000 Co\n0.085472 0.764449 0.000000 Co\n0.235551 0.321023 0.000000 Co\n0.678977 0.914528 0.000000 Co\n0.764449 0.085472 0.000000 Co\n0.321023 0.235551 0.000000 Co\n0.914528 0.678977 0.000000 Co\n0.911232 0.088768 0.756655 Co\n0.911232 0.822464 0.756655 Co\n0.177536 0.088768 0.756655 Co\n0.088768 0.911232 0.756655 Co\n0.822464 0.911232 0.756655 Co\n0.088768 0.177536 0.756655 Co\n0.088768 0.911232 0.243345 Co\n0.088768 0.177536 0.243345 Co\n0.822464 0.911232 0.243345 Co\n0.911232 0.088768 0.243345 Co\n0.177536 0.088768 0.243345 Co\n0.911232 0.822464 0.243345 Co\n0.738352 0.261648 0.657362 Co\n0.738352 0.476704 0.657362 Co\n0.523296 0.261648 0.657362 Co\n0.261648 0.738352 0.657362 Co\n0.476704 0.738352 0.657362 Co\n0.261648 0.523296 0.657362 Co\n0.261648 0.738352 0.342638 Co\n0.261648 0.523296 0.342638 Co\n0.476704 0.738352 0.342638 Co\n0.738352 0.261648 0.342638 Co\n0.523296 0.261648 0.342638 Co\n0.738352 0.476704 0.342638 Co\n0.858240 0.141760 0.500000 Co\n0.858240 0.716480 0.500000 Co\n0.283520 0.141760 0.500000 Co\n0.141760 0.858240 0.500000 Co\n0.716480 0.858240 0.500000 Co\n0.141760 0.283520 0.500000 Co\n0.455499 0.544501 0.000000 Co\n0.455499 0.910998 0.000000 Co\n0.089002 0.544501 0.000000 Co\n0.544501 0.455499 0.000000 Co\n0.910998 0.455499 0.000000 Co\n0.544501 0.089002 0.000000 Co\n0.581520 0.581520 0.500000 Co\n0.418480 0.000000 0.500000 Co\n0.000000 0.418480 0.500000 Co\n0.418480 0.418480 0.500000 Co\n0.581520 0.000000 0.500000 Co\n0.000000 0.581520 0.500000 Co\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.871531 0.282233 0.500000 Si\n0.717767 0.589298 0.500000 Si\n0.410702 0.128469 0.500000 Si\n0.282233 0.871531 0.500000 Si\n0.589298 0.717767 0.500000 Si\n0.128469 0.410702 0.500000 Si\n0.128469 0.717767 0.500000 Si\n0.282233 0.410702 0.500000 Si\n0.589298 0.871531 0.500000 Si\n0.717767 0.128469 0.500000 Si\n0.410702 0.282233 0.500000 Si\n0.871531 0.589298 0.500000 Si\n0.821226 0.178774 0.764693 Si\n0.821226 0.642453 0.764693 Si\n0.357547 0.178774 0.764693 Si\n0.178774 0.821226 0.764693 Si\n0.642453 0.821226 0.764693 Si\n0.178774 0.357547 0.764693 Si\n0.178774 0.821226 0.235307 Si\n0.178774 0.357547 0.235307 Si\n0.642453 0.821226 0.235307 Si\n0.821226 0.178774 0.235307 Si\n0.357547 0.178774 0.235307 Si\n0.821226 0.642453 0.235307 Si\n0.395070 0.604930 0.818493 Si\n0.395070 0.790140 0.818493 Si\n0.209860 0.604930 0.818493 Si\n0.604930 0.395070 0.818493 Si\n0.790140 0.395070 0.818493 Si\n0.604930 0.209860 0.818493 Si\n0.604930 0.395070 0.181507 Si\n0.604930 0.209860 0.181507 Si\n0.790140 0.395070 0.181507 Si\n0.395070 0.604930 0.181507 Si\n0.209860 0.604930 0.181507 Si\n0.395070 0.790140 0.181507 Si\n0.854685 0.854685 0.500000 Si\n0.145315 0.000000 0.500000 Si\n0.000000 0.145315 0.500000 Si\n0.145315 0.145315 0.500000 Si\n0.854685 0.000000 0.500000 Si\n0.000000 0.854685 0.500000 Si\n0.838753 0.838753 0.000000 Si\n0.161247 0.000000 0.000000 Si\n0.000000 0.161247 0.000000 Si\n0.161247 0.161247 0.000000 Si\n0.838753 0.000000 0.000000 Si\n0.000000 0.838753 0.000000 Si\n0.612328 0.612328 0.000000 Si\n0.387672 0.000000 0.000000 Si\n0.000000 0.387672 0.000000 Si\n0.387672 0.387672 0.000000 Si\n0.612328 0.000000 0.000000 Si\n0.000000 0.612328 0.000000 Si\n0.500000 0.500000 0.739072 Si\n0.500000 0.000000 0.739072 Si\n0.000000 0.500000 0.739072 Si\n0.500000 0.500000 0.260928 Si\n0.500000 0.000000 0.260928 Si\n0.000000 0.500000 0.260928 Si\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n","nsites":168,"nelements":3,"elements":["Nb","Co","Si"],"chemical_system":"Co-Nb-Si","density":7.342531726818159,"density_atomic":0.08373516080300629,"volume":2006.3256389419678,"volume_molar":7.1918901238723025,"formula_full":"Nb26 Co80 Si62","formula_reduced":"Nb13Co40Si31","formula_anonymous":"A13B31C40","energy":-1261.85552796,"energy_per_atom":-7.511044809285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1266.25752796,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2415057,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.467000Z","spacegroup":191},{"id":"mp-1196424","created_at":"2022-09-04T14:48:10.617671Z","structure_string":"Cd24 P48 N96\n1.0\n-0.000000 0.000000 -7.914444\n-8.510230 -14.740151 -0.000000\n-8.510415 14.740258 -0.000000\nCd P N\n24 48 96\ndirect\n0.500000 0.000004 -0.000000 Cd\n-0.000000 0.999996 0.000000 Cd\n0.997287 0.666650 0.333319 Cd\n0.002713 0.333331 0.666681 Cd\n0.497287 0.333350 0.666681 Cd\n0.502713 0.666669 0.333319 Cd\n0.500000 0.474655 0.000000 Cd\n0.499998 0.525362 0.525356 Cd\n0.500002 0.000006 0.474644 Cd\n0.000000 0.525345 1.000000 Cd\n0.999998 0.474638 0.474644 Cd\n0.000002 0.999994 0.525356 Cd\n0.006522 0.805342 0.144954 Cd\n0.006499 0.339617 0.194660 Cd\n0.006537 0.855036 0.660366 Cd\n0.993478 0.660388 0.855046 Cd\n0.993501 0.144957 0.805340 Cd\n0.993463 0.194670 0.339634 Cd\n0.506522 0.194658 0.855046 Cd\n0.506499 0.660384 0.805340 Cd\n0.506537 0.144964 0.339634 Cd\n0.493478 0.339612 0.144954 Cd\n0.493501 0.855043 0.194660 Cd\n0.493463 0.805330 0.660366 Cd\n0.303070 0.831020 0.999233 P\n0.303052 0.168211 0.168971 P\n0.303071 0.000764 0.831785 P\n0.696930 0.831787 0.000767 P\n0.696948 0.999240 0.831029 P\n0.696929 0.168979 0.168215 P\n0.803070 0.168980 0.000767 P\n0.803052 0.831788 0.831029 P\n0.803071 0.999236 0.168215 P\n0.196930 0.168213 0.999233 P\n0.196948 0.000760 0.168971 P\n0.196929 0.831022 0.831785 P\n0.301995 0.166646 0.666282 P\n0.301977 0.499642 0.833350 P\n0.301956 0.333705 0.500351 P\n0.698005 0.500365 0.333718 P\n0.698023 0.666292 0.166650 P\n0.698044 0.833354 0.499649 P\n0.801995 0.833354 0.333718 P\n0.801976 0.500357 0.166650 P\n0.801956 0.666295 0.499649 P\n0.198005 0.499636 0.666282 P\n0.198024 0.333707 0.833350 P\n0.198044 0.166646 0.500351 P\n0.303530 0.500112 0.332969 P\n0.303596 0.832857 0.499883 P\n0.303548 0.667028 0.167137 P\n0.696470 0.167143 0.667031 P\n0.696404 0.332973 0.500117 P\n0.696452 0.499891 0.832863 P\n0.803530 0.499888 0.667031 P\n0.803596 0.167143 0.500117 P\n0.803548 0.332972 0.832863 P\n0.196470 0.832857 0.332969 P\n0.196404 0.667027 0.499883 P\n0.196452 0.500109 0.167137 P\n0.201304 0.665122 0.665200 P\n0.201349 0.000078 0.334869 P\n0.201329 0.334796 -0.000080 P\n0.798696 -0.000078 0.334800 P\n0.798651 0.665209 0.665131 P\n0.798671 0.334877 0.000080 P\n0.701305 0.334878 0.334800 P\n0.701349 0.999922 0.665131 P\n0.701328 0.665204 0.000081 P\n0.298695 0.000078 0.665200 P\n0.298651 0.334791 0.334869 P\n0.298672 0.665123 -0.000081 P\n0.500000 0.661253 0.000000 N\n0.499983 0.338740 0.338727 N\n0.500017 0.000013 0.661273 N\n0.000000 0.338747 1.000000 N\n-0.000016 0.661260 0.661273 N\n0.000016 0.999987 0.338727 N\n0.750000 0.392163 0.784326 N\n0.749912 0.392168 0.607851 N\n0.750088 0.215683 0.607851 N\n0.250000 0.607837 0.215674 N\n0.250088 0.784317 0.392149 N\n0.249912 0.607832 0.392149 N\n0.750000 0.060326 0.120652 N\n0.750014 0.060324 0.939686 N\n0.749987 0.879362 0.939685 N\n0.250000 0.939674 0.879348 N\n0.249986 0.120638 0.060314 N\n0.250013 0.939677 0.060315 N\n0.750000 0.725096 0.450193 N\n0.750016 0.725097 0.274901 N\n0.749984 0.549805 0.274901 N\n0.250000 0.274904 0.549807 N\n0.249984 0.450195 0.725099 N\n0.250016 0.274903 0.725099 N\n0.500000 0.820611 0.000000 N\n0.499990 0.179381 0.179355 N\n0.500010 0.000026 0.820645 N\n-0.000000 0.179389 1.000000 N\n0.999990 0.820619 0.820646 N\n0.000010 0.999973 0.179354 N\n0.001037 0.164513 0.493378 N\n0.001048 0.328879 0.835461 N\n0.001022 0.506547 0.671073 N\n0.998963 0.671135 0.506622 N\n0.998952 0.493418 0.164539 N\n0.998978 0.835474 0.328927 N\n0.501036 0.835487 0.506622 N\n0.501048 0.671121 0.164539 N\n0.501022 0.493453 0.328927 N\n0.498964 0.328865 0.493378 N\n0.498952 0.506582 0.835461 N\n0.498978 0.164526 0.671073 N\n0.280559 0.768632 0.728816 N\n0.280609 0.960192 0.231362 N\n0.280588 0.271174 0.039805 N\n0.719441 0.039816 0.271184 N\n0.719391 0.728830 0.768638 N\n0.719412 0.231369 0.960195 N\n0.780560 0.231368 0.271184 N\n0.780609 0.039808 0.768637 N\n0.780588 0.728826 0.960195 N\n0.219440 0.960184 0.728816 N\n0.219391 0.271170 0.231362 N\n0.219412 0.768631 0.039805 N\n0.281822 0.103802 0.398284 N\n0.281807 0.294485 0.896196 N\n0.281779 0.601708 0.705512 N\n0.718178 0.705518 0.601716 N\n0.718193 0.398290 0.103804 N\n0.718221 0.896197 0.294488 N\n0.781822 0.896198 0.601716 N\n0.781807 0.705514 0.103804 N\n0.781779 0.398292 0.294488 N\n0.218178 0.294482 0.398284 N\n0.218193 0.601710 0.896196 N\n0.218221 0.103803 0.705512 N\n0.279477 0.439166 0.064476 N\n0.279458 0.625314 0.560831 N\n0.279507 0.935516 0.374673 N\n0.720523 0.374690 0.935524 N\n0.720542 0.064484 0.439169 N\n0.720493 0.560843 0.625327 N\n0.779477 0.560834 0.935524 N\n0.779458 0.374686 0.439170 N\n0.779508 0.064484 0.625327 N\n0.220523 0.625310 0.064476 N\n0.220542 0.935516 0.560830 N\n0.220492 0.439157 0.374673 N\n0.750000 0.559496 0.118992 N\n0.750017 0.559495 0.440505 N\n0.749983 0.881010 0.440505 N\n0.250000 0.440504 0.881008 N\n0.249983 0.118990 0.559495 N\n0.250017 0.440505 0.559495 N\n0.750000 0.225962 0.451923 N\n0.749973 0.225955 0.774057 N\n0.750027 0.548102 0.774057 N\n0.250000 0.774039 0.548077 N\n0.250027 0.451898 0.225943 N\n0.249973 0.774045 0.225943 N\n0.750000 0.893203 0.786406 N\n0.749972 0.893204 0.106807 N\n0.750029 0.213603 0.106807 N\n0.250000 0.106797 0.213594 N\n0.250028 0.786397 0.893193 N\n0.249971 0.106796 0.893193 N\n","nsites":168,"nelements":3,"elements":["Cd","P","N"],"chemical_system":"Cd-N-P","density":4.623972221248022,"density_atomic":0.08460759469824543,"volume":1985.6373485048848,"volume_molar":7.1177307208390435,"formula_full":"Cd24 P48 N96","formula_reduced":"Cd(PN2)2","formula_anonymous":"AB2C4","energy":-1147.23046699,"energy_per_atom":-6.828752779702381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1112.57446699,"band_gap":1.2364000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011312,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.796000Z","spacegroup":182},{"id":"mp-758542","created_at":"2022-09-04T14:41:53.199285Z","structure_string":"Li24 Cu24 P24 O96\n1.0\n4.910996 -8.506095 0.000000\n4.910996 8.506095 0.000000\n0.000000 0.000000 21.619576\nLi Cu P O\n24 24 24 96\ndirect\n0.145822 0.828561 0.673811 Li\n0.189130 0.881436 0.009392 Li\n0.180139 0.790413 0.374383 Li\n0.118564 0.307694 0.676058 Li\n0.331380 0.686741 0.823082 Li\n0.313259 0.644639 0.489749 Li\n0.355361 0.668620 0.156415 Li\n0.171439 0.317261 0.340478 Li\n0.209587 0.389726 0.041050 Li\n0.610274 0.819861 0.707717 Li\n0.307694 0.189130 0.842725 Li\n0.317261 0.145822 0.507145 Li\n0.682739 0.854178 0.007145 Li\n0.692306 0.810870 0.342725 Li\n0.389726 0.180139 0.207717 Li\n0.790413 0.610274 0.541050 Li\n0.828561 0.682739 0.840478 Li\n0.644639 0.331380 0.656415 Li\n0.686741 0.355361 0.989749 Li\n0.668620 0.313259 0.323082 Li\n0.881436 0.692306 0.176058 Li\n0.819861 0.209587 0.874383 Li\n0.810870 0.118564 0.509392 Li\n0.854178 0.171439 0.173811 Li\n0.997968 0.956539 0.427671 Cu\n0.047627 0.558107 0.909267 Cu\n0.044183 0.515791 0.245237 Cu\n0.979164 0.458553 0.583746 Cu\n0.479389 0.020836 0.917080 Cu\n0.471608 0.955817 0.578571 Cu\n0.043461 0.041428 0.094337 Cu\n0.510480 0.952373 0.242600 Cu\n0.041428 0.997968 0.261004 Cu\n0.441893 0.489520 0.575934 Cu\n0.484209 0.528392 0.911904 Cu\n0.541447 0.520611 0.250413 Cu\n0.458553 0.479389 0.750413 Cu\n0.515791 0.471608 0.411904 Cu\n0.558107 0.510480 0.075934 Cu\n0.958572 0.002032 0.761004 Cu\n0.489520 0.047627 0.742600 Cu\n0.956539 0.958572 0.594337 Cu\n0.528392 0.044183 0.078571 Cu\n0.520611 0.979164 0.417080 Cu\n0.020836 0.541447 0.083746 Cu\n0.955817 0.484209 0.745237 Cu\n0.952373 0.441893 0.409267 Cu\n0.002032 0.043461 0.927671 Cu\n0.173634 0.863460 0.814274 P\n0.125854 0.767420 0.506512 P\n0.217264 0.875389 0.152390 P\n0.124611 0.341875 0.819057 P\n0.330275 0.693214 0.009381 P\n0.136540 0.310174 0.480940 P\n0.306786 0.637061 0.676048 P\n0.362939 0.669725 0.342714 P\n0.232580 0.358434 0.173179 P\n0.641566 0.874146 0.839846 P\n0.341875 0.217264 0.985724 P\n0.310174 0.173634 0.647607 P\n0.689826 0.826366 0.147607 P\n0.658125 0.782736 0.485724 P\n0.358434 0.125854 0.339846 P\n0.767420 0.641566 0.673179 P\n0.637061 0.330275 0.842714 P\n0.693214 0.362939 0.176048 P\n0.863460 0.689826 0.980940 P\n0.669725 0.306786 0.509381 P\n0.875389 0.658125 0.319057 P\n0.782736 0.124611 0.652390 P\n0.874146 0.232580 0.006512 P\n0.826366 0.136540 0.314274 P\n0.026099 0.704758 0.799525 O\n0.119451 0.983453 0.834827 O\n0.009112 0.665333 0.558690 O\n0.119463 0.921663 0.495301 O\n0.176086 0.986700 0.188909 O\n0.063069 0.725217 0.132761 O\n0.081883 0.667346 0.447316 O\n0.267083 0.923916 0.752124 O\n0.302954 0.959468 0.091397 O\n0.140615 0.620535 0.680670 O\n0.203509 0.706222 0.971834 O\n0.285706 0.849497 0.860706 O\n0.199828 0.631866 0.316742 O\n0.295225 0.814237 0.525885 O\n0.040532 0.343487 0.758064 O\n0.324911 0.833367 0.190554 O\n0.166633 0.491544 0.857221 O\n0.013300 0.189386 0.855576 O\n0.076084 0.343167 0.418790 O\n0.016547 0.135998 0.501494 O\n0.258278 0.632532 0.074856 O\n0.078337 0.197800 0.161968 O\n0.150503 0.436209 0.527372 O\n0.185763 0.480988 0.192551 O\n0.374254 0.741722 0.408189 O\n0.293778 0.497288 0.638500 O\n0.367468 0.625746 0.741523 O\n0.368134 0.567962 0.983409 O\n0.432038 0.800172 0.650075 O\n0.479920 0.859385 0.014004 O\n0.379465 0.520080 0.347337 O\n0.135998 0.119451 0.668160 O\n0.189386 0.176086 0.022243 O\n0.274783 0.337852 0.799428 O\n0.332654 0.414537 0.113982 O\n0.502712 0.796491 0.305167 O\n0.197800 0.119463 0.328634 O\n0.295242 0.321341 0.466191 O\n0.334667 0.343779 0.225356 O\n0.519012 0.704775 0.859218 O\n0.585463 0.918117 0.780649 O\n0.563791 0.714294 0.194039 O\n0.343487 0.302954 0.924731 O\n0.656221 0.990888 0.892023 O\n0.508456 0.675089 0.523888 O\n0.343167 0.267083 0.585457 O\n0.662148 0.936931 0.466094 O\n0.678659 0.973901 0.132858 O\n0.321341 0.026099 0.632858 O\n0.337852 0.063069 0.966094 O\n0.656833 0.732917 0.085457 O\n0.491544 0.324911 0.023888 O\n0.343779 0.009112 0.392023 O\n0.656513 0.697046 0.424731 O\n0.436209 0.285706 0.694039 O\n0.414537 0.081883 0.280649 O\n0.480988 0.295225 0.359218 O\n0.665333 0.656221 0.725356 O\n0.704758 0.678659 0.966191 O\n0.802200 0.880537 0.828634 O\n0.497288 0.203509 0.805167 O\n0.667346 0.585463 0.613982 O\n0.725217 0.662148 0.299428 O\n0.810614 0.823914 0.522243 O\n0.864002 0.880549 0.168160 O\n0.620535 0.479920 0.847337 O\n0.520080 0.140615 0.514004 O\n0.567962 0.199828 0.150075 O\n0.631866 0.432038 0.483409 O\n0.632532 0.374254 0.241523 O\n0.706222 0.502712 0.138500 O\n0.625746 0.258278 0.908189 O\n0.814237 0.519012 0.692551 O\n0.849497 0.563791 0.027372 O\n0.921663 0.802200 0.661968 O\n0.741722 0.367468 0.574856 O\n0.983453 0.864002 0.001494 O\n0.923916 0.656833 0.918790 O\n0.986700 0.810614 0.355576 O\n0.833367 0.508456 0.357221 O\n0.675089 0.166633 0.690554 O\n0.959468 0.656513 0.258064 O\n0.704775 0.185763 0.025885 O\n0.800172 0.368134 0.816742 O\n0.714294 0.150503 0.360706 O\n0.796491 0.293778 0.471834 O\n0.859385 0.379465 0.180670 O\n0.697046 0.040532 0.591397 O\n0.732917 0.076084 0.252124 O\n0.918117 0.332654 0.947316 O\n0.936931 0.274783 0.632761 O\n0.823914 0.013300 0.688909 O\n0.880537 0.078337 0.995301 O\n0.990888 0.334667 0.058690 O\n0.880549 0.016547 0.334827 O\n0.973901 0.295242 0.299525 O\n","nsites":168,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.6506658438599637,"density_atomic":0.09301056969808788,"volume":1806.2463281896632,"volume_molar":6.474684306899588,"formula_full":"Li24 Cu24 P24 O96","formula_reduced":"LiCuPO4","formula_anonymous":"ABCD4","energy":-1105.44383609,"energy_per_atom":-6.580022833869048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1039.49183609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.5406104,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.916000Z","spacegroup":170},{"id":"mp-648774","created_at":"2022-09-04T14:43:59.295682Z","structure_string":"Zr48 Cl120\n1.0\n17.792129 0.000000 -6.290468\n-8.896065 15.408436 -6.290468\n0.000000 0.000000 18.871403\nZr Cl\n48 120\ndirect\n0.972677 0.953140 0.855472 Zr\n0.882794 0.027323 0.480463 Zr\n0.097669 0.453140 0.480463 Zr\n0.402331 0.019537 0.046860 Zr\n0.355472 0.453140 0.472677 Zr\n0.472677 0.355472 0.453140 Zr\n0.855472 0.382794 0.902331 Zr\n0.617206 0.019537 0.472677 Zr\n0.046860 0.402331 0.019537 Zr\n0.027323 0.046860 0.144528 Zr\n0.644528 0.597669 0.117206 Zr\n0.953140 0.855472 0.972677 Zr\n0.144528 0.617206 0.097669 Zr\n0.546860 0.527323 0.644528 Zr\n0.644528 0.546860 0.527323 Zr\n0.355472 0.402331 0.882794 Zr\n0.480463 0.882794 0.027323 Zr\n0.019537 0.046860 0.402331 Zr\n0.882794 0.355472 0.402331 Zr\n0.617206 0.097669 0.144528 Zr\n0.519537 0.117206 0.972677 Zr\n0.453140 0.480463 0.097669 Zr\n0.453140 0.472677 0.355472 Zr\n0.980463 0.527323 0.382794 Zr\n0.972677 0.519537 0.117206 Zr\n0.980463 0.953140 0.597669 Zr\n0.019537 0.472677 0.617206 Zr\n0.902331 0.546860 0.519537 Zr\n0.402331 0.882794 0.355472 Zr\n0.597669 0.117206 0.644528 Zr\n0.117206 0.644528 0.597669 Zr\n0.046860 0.144528 0.027323 Zr\n0.472677 0.617206 0.019537 Zr\n0.597669 0.980463 0.953140 Zr\n0.855472 0.972677 0.953140 Zr\n0.902331 0.855472 0.382794 Zr\n0.953140 0.597669 0.980463 Zr\n0.527323 0.382794 0.980463 Zr\n0.527323 0.644528 0.546860 Zr\n0.097669 0.144528 0.617206 Zr\n0.382794 0.980463 0.527323 Zr\n0.117206 0.972677 0.519537 Zr\n0.519537 0.902331 0.546860 Zr\n0.382794 0.902331 0.855472 Zr\n0.546860 0.519537 0.902331 Zr\n0.144528 0.027323 0.046860 Zr\n0.480463 0.097669 0.453140 Zr\n0.027323 0.480463 0.882794 Zr\n0.316285 0.521422 0.895203 Cl\n0.641409 0.230616 0.127460 Cl\n0.269384 0.858591 0.372540 Cl\n0.478578 0.873781 0.794863 Cl\n0.896844 0.127460 0.986051 Cl\n0.641409 0.910793 0.513949 Cl\n0.141409 0.627460 0.730616 Cl\n0.513949 0.372540 0.603156 Cl\n0.107061 0.303530 0.053530 Cl\n0.626219 0.104797 0.921082 Cl\n0.858591 0.372540 0.269384 Cl\n0.316285 0.294863 0.421082 Cl\n0.946470 0.892939 0.696470 Cl\n0.794863 0.478578 0.873781 Cl\n0.750000 0.196470 0.303530 Cl\n0.627460 0.396844 0.486051 Cl\n0.392939 0.446470 0.196470 Cl\n0.705137 0.578918 0.683715 Cl\n0.730616 0.089207 0.103156 Cl\n0.986051 0.896844 0.127460 Cl\n0.872540 0.358591 0.769384 Cl\n0.896844 0.269384 0.910793 Cl\n0.372540 0.269384 0.858591 Cl\n0.873781 0.794863 0.478578 Cl\n0.410793 0.141409 0.013949 Cl\n0.794863 0.816285 0.921082 Cl\n0.078918 0.373781 0.895203 Cl\n0.230616 0.127460 0.641409 Cl\n0.683715 0.705137 0.578918 Cl\n0.421082 0.316285 0.294863 Cl\n0.053530 0.446470 0.750000 Cl\n0.750000 0.053530 0.446470 Cl\n0.604797 0.978578 0.183715 Cl\n0.513949 0.641409 0.910793 Cl\n0.446470 0.196470 0.392939 Cl\n0.126219 0.205137 0.521422 Cl\n0.196470 0.303530 0.750000 Cl\n0.196470 0.392939 0.446470 Cl\n0.696470 0.946470 0.892939 Cl\n0.126219 0.421082 0.604797 Cl\n0.910793 0.896844 0.269384 Cl\n0.013949 0.103156 0.872540 Cl\n0.892939 0.696470 0.946470 Cl\n0.478578 0.104797 0.683715 Cl\n0.078918 0.205137 0.183715 Cl\n0.895203 0.078918 0.373781 Cl\n0.396844 0.486051 0.627460 Cl\n0.578918 0.683715 0.705137 Cl\n0.230616 0.603156 0.589207 Cl\n0.021422 0.816285 0.395203 Cl\n0.553530 0.250000 0.946470 Cl\n0.816285 0.395203 0.021422 Cl\n0.358591 0.769384 0.872540 Cl\n0.921082 0.626219 0.104797 Cl\n0.604797 0.126219 0.421082 Cl\n0.103156 0.872540 0.013949 Cl\n0.486051 0.627460 0.396844 Cl\n0.603156 0.513949 0.372540 Cl\n0.803530 0.696470 0.250000 Cl\n0.294863 0.421082 0.316285 Cl\n0.603156 0.589207 0.230616 Cl\n0.373781 0.895203 0.078918 Cl\n0.358591 0.089207 0.486051 Cl\n0.705137 0.626219 0.021422 Cl\n0.521422 0.895203 0.316285 Cl\n0.021422 0.705137 0.626219 Cl\n0.294863 0.373781 0.978578 Cl\n0.373781 0.978578 0.294863 Cl\n0.858591 0.986051 0.589207 Cl\n0.013949 0.410793 0.141409 Cl\n0.589207 0.230616 0.603156 Cl\n0.816285 0.921082 0.794863 Cl\n0.205137 0.521422 0.126219 Cl\n0.104797 0.683715 0.478578 Cl\n0.303530 0.750000 0.196470 Cl\n0.589207 0.858591 0.986051 Cl\n0.769384 0.396844 0.410793 Cl\n0.089207 0.103156 0.730616 Cl\n0.910793 0.513949 0.641409 Cl\n0.627460 0.730616 0.141409 Cl\n0.921082 0.794863 0.816285 Cl\n0.696470 0.250000 0.803530 Cl\n0.183715 0.078918 0.205137 Cl\n0.978578 0.183715 0.604797 Cl\n0.250000 0.803530 0.696470 Cl\n0.127460 0.986051 0.896844 Cl\n0.873781 0.578918 0.395203 Cl\n0.183715 0.604797 0.978578 Cl\n0.089207 0.486051 0.358591 Cl\n0.803530 0.607061 0.553530 Cl\n0.978578 0.294863 0.373781 Cl\n0.986051 0.589207 0.858591 Cl\n0.521422 0.126219 0.205137 Cl\n0.127460 0.641409 0.230616 Cl\n0.578918 0.395203 0.873781 Cl\n0.553530 0.803530 0.607061 Cl\n0.104797 0.921082 0.626219 Cl\n0.895203 0.316285 0.521422 Cl\n0.446470 0.750000 0.053530 Cl\n0.205137 0.183715 0.078918 Cl\n0.626219 0.021422 0.705137 Cl\n0.269384 0.910793 0.896844 Cl\n0.141409 0.013949 0.410793 Cl\n0.872540 0.013949 0.103156 Cl\n0.395203 0.873781 0.578918 Cl\n0.421082 0.604797 0.126219 Cl\n0.053530 0.107061 0.303530 Cl\n0.486051 0.358591 0.089207 Cl\n0.769384 0.872540 0.358591 Cl\n0.103156 0.730616 0.089207 Cl\n0.730616 0.141409 0.627460 Cl\n0.395203 0.021422 0.816285 Cl\n0.372540 0.603156 0.513949 Cl\n0.683715 0.478578 0.104797 Cl\n0.607061 0.553530 0.803530 Cl\n0.410793 0.769384 0.396844 Cl\n0.946470 0.553530 0.250000 Cl\n0.303530 0.053530 0.107061 Cl\n0.250000 0.946470 0.553530 Cl\n0.396844 0.410793 0.769384 Cl\n","nsites":168,"nelements":2,"elements":["Zr","Cl"],"chemical_system":"Cl-Zr","density":2.77093160352719,"density_atomic":0.032472716056906284,"volume":5173.574015354648,"volume_molar":18.54523270996672,"formula_full":"Zr48 Cl120","formula_reduced":"Zr2Cl5","formula_anonymous":"A2B5","energy":-981.52890859,"energy_per_atom":-5.842433979702381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-907.8489085899998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.9866708,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.828000Z","spacegroup":230},{"id":"mp-850005","created_at":"2022-09-04T14:48:09.593527Z","structure_string":"Li24 Mn24 P24 O96\n1.0\n4.942667 -8.560951 0.000000\n4.942667 8.560951 0.000000\n0.000000 0.000000 22.482066\nLi Mn P O\n24 24 24 96\ndirect\n0.148712 0.831570 0.678784 Li\n0.183879 0.880000 0.010562 Li\n0.179825 0.790470 0.375697 Li\n0.120000 0.303880 0.677229 Li\n0.330768 0.675974 0.818960 Li\n0.324026 0.654793 0.485626 Li\n0.345207 0.669232 0.152293 Li\n0.168430 0.317142 0.345451 Li\n0.209530 0.389356 0.042363 Li\n0.610644 0.820175 0.709030 Li\n0.303880 0.183879 0.843896 Li\n0.317142 0.148712 0.512117 Li\n0.682858 0.851288 0.012117 Li\n0.696120 0.816121 0.343896 Li\n0.389356 0.179825 0.209030 Li\n0.790470 0.610644 0.542363 Li\n0.831570 0.682858 0.845451 Li\n0.654793 0.330768 0.652293 Li\n0.675974 0.345207 0.985626 Li\n0.669232 0.324026 0.318960 Li\n0.880000 0.696120 0.177229 Li\n0.820175 0.209530 0.875697 Li\n0.816121 0.120000 0.510562 Li\n0.851288 0.168430 0.178784 Li\n0.005070 0.962456 0.419940 Mn\n0.051635 0.552804 0.913090 Mn\n0.040286 0.506873 0.251500 Mn\n0.020065 0.482091 0.590154 Mn\n0.462026 0.979935 0.923488 Mn\n0.466587 0.959714 0.584833 Mn\n0.037544 0.042614 0.086606 Mn\n0.501169 0.948365 0.246423 Mn\n0.042614 0.005070 0.253273 Mn\n0.447196 0.498831 0.579756 Mn\n0.493127 0.533413 0.918166 Mn\n0.517909 0.537974 0.256821 Mn\n0.482091 0.462026 0.756821 Mn\n0.506873 0.466587 0.418166 Mn\n0.552804 0.501169 0.079756 Mn\n0.957386 0.994930 0.753273 Mn\n0.498831 0.051635 0.746423 Mn\n0.962456 0.957386 0.586606 Mn\n0.533413 0.040286 0.084833 Mn\n0.537974 0.020065 0.423488 Mn\n0.979935 0.517909 0.090154 Mn\n0.959714 0.493127 0.751500 Mn\n0.948365 0.447196 0.413090 Mn\n0.994930 0.037544 0.919940 Mn\n0.169692 0.857152 0.814757 P\n0.127976 0.776113 0.506957 P\n0.213350 0.879961 0.146751 P\n0.120039 0.333389 0.813418 P\n0.326091 0.689424 0.012119 P\n0.142848 0.312540 0.481423 P\n0.310576 0.636667 0.678786 P\n0.363333 0.673909 0.345453 P\n0.223887 0.351863 0.173623 P\n0.648137 0.872024 0.840290 P\n0.333389 0.213350 0.980084 P\n0.312540 0.169692 0.648090 P\n0.687460 0.830308 0.148090 P\n0.666611 0.786650 0.480084 P\n0.351863 0.127976 0.340290 P\n0.776113 0.648137 0.673623 P\n0.636667 0.326091 0.845453 P\n0.689424 0.363333 0.178786 P\n0.857152 0.687460 0.981423 P\n0.673909 0.310576 0.512119 P\n0.879961 0.666611 0.313418 P\n0.786650 0.120039 0.646751 P\n0.872024 0.223887 0.006957 P\n0.830308 0.142848 0.314757 P\n0.017380 0.700760 0.801308 O\n0.122602 0.974726 0.840808 O\n0.012444 0.678636 0.557500 O\n0.125387 0.932238 0.498184 O\n0.177368 0.991791 0.183238 O\n0.059968 0.727068 0.134639 O\n0.074825 0.678726 0.448753 O\n0.256039 0.921830 0.754733 O\n0.285472 0.963369 0.086743 O\n0.146729 0.626995 0.677920 O\n0.207012 0.711539 0.974156 O\n0.279562 0.831383 0.857251 O\n0.206876 0.646782 0.318733 O\n0.294048 0.811512 0.524247 O\n0.036631 0.322103 0.753410 O\n0.335321 0.851044 0.179377 O\n0.148956 0.484277 0.846044 O\n0.008209 0.185577 0.849905 O\n0.078170 0.334210 0.421399 O\n0.025274 0.147877 0.507475 O\n0.255640 0.635776 0.074384 O\n0.067762 0.193149 0.164851 O\n0.168617 0.448179 0.523918 O\n0.188488 0.482536 0.190914 O\n0.380137 0.744360 0.407717 O\n0.288461 0.495473 0.640822 O\n0.364224 0.619863 0.741051 O\n0.353218 0.560094 0.985399 O\n0.439906 0.793124 0.652066 O\n0.480266 0.853271 0.011253 O\n0.373005 0.519734 0.344586 O\n0.147877 0.122602 0.674142 O\n0.185577 0.177368 0.016572 O\n0.272932 0.332900 0.801305 O\n0.321274 0.396099 0.115419 O\n0.504527 0.792988 0.307489 O\n0.193149 0.125387 0.331517 O\n0.299240 0.316620 0.467975 O\n0.321364 0.333809 0.224167 O\n0.517464 0.705952 0.857580 O\n0.603901 0.925175 0.782086 O\n0.551821 0.720438 0.190584 O\n0.322103 0.285472 0.920077 O\n0.666191 0.987556 0.890833 O\n0.515723 0.664679 0.512710 O\n0.334210 0.256039 0.588066 O\n0.667100 0.940032 0.467972 O\n0.683380 0.982620 0.134641 O\n0.316620 0.017380 0.634641 O\n0.332900 0.059968 0.967972 O\n0.665790 0.743961 0.088066 O\n0.484277 0.335321 0.012710 O\n0.333809 0.012444 0.390833 O\n0.677897 0.714528 0.420077 O\n0.448179 0.279562 0.690584 O\n0.396099 0.074825 0.282086 O\n0.482536 0.294048 0.357580 O\n0.678636 0.666191 0.724167 O\n0.700760 0.683380 0.967975 O\n0.806851 0.874613 0.831517 O\n0.495473 0.207012 0.807489 O\n0.678726 0.603901 0.615419 O\n0.727068 0.667100 0.301305 O\n0.814423 0.822632 0.516572 O\n0.852123 0.877398 0.174142 O\n0.626995 0.480266 0.844586 O\n0.519734 0.146729 0.511253 O\n0.560094 0.206876 0.152066 O\n0.646782 0.439906 0.485399 O\n0.635776 0.380137 0.241051 O\n0.711539 0.504527 0.140822 O\n0.619863 0.255640 0.907717 O\n0.811512 0.517464 0.690914 O\n0.831383 0.551821 0.023918 O\n0.932238 0.806851 0.664851 O\n0.744360 0.364224 0.574384 O\n0.974726 0.852123 0.007475 O\n0.921830 0.665790 0.921399 O\n0.991791 0.814423 0.349905 O\n0.851044 0.515723 0.346044 O\n0.664679 0.148956 0.679377 O\n0.963369 0.677897 0.253410 O\n0.705952 0.188488 0.024247 O\n0.793124 0.353218 0.818733 O\n0.720438 0.168617 0.357251 O\n0.792988 0.288461 0.474156 O\n0.853271 0.373005 0.177920 O\n0.714528 0.036631 0.586743 O\n0.743961 0.078170 0.254733 O\n0.925175 0.321274 0.948753 O\n0.940032 0.272932 0.634639 O\n0.822632 0.008209 0.683238 O\n0.874613 0.067762 0.998184 O\n0.987556 0.321364 0.057500 O\n0.877398 0.025274 0.340808 O\n0.982620 0.299240 0.301308 O\n","nsites":168,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.2854617227619265,"density_atomic":0.08829979685058328,"volume":1902.609133793157,"volume_molar":6.820107151764325,"formula_full":"Li24 Mn24 P24 O96","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy":-1302.8294832499998,"energy_per_atom":-7.754937400297618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1196.84548325,"band_gap":3.1409,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":120.0001908,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.075000Z","spacegroup":170},{"id":"mp-1096979","created_at":"2022-09-04T14:42:19.038942Z","structure_string":"Na24 V24 Zn24 O96\n1.0\n0.000000 0.000000 -8.280319\n-9.332732 -16.164382 0.000000\n-9.332565 16.164286 0.000000\nNa V Zn O\n24 24 24 96\ndirect\n0.569008 0.184208 0.330728 Na\n0.568996 0.669269 0.853485 Na\n0.569016 0.146516 0.815779 Na\n0.069008 0.815792 0.669272 Na\n0.068996 0.330731 0.146515 Na\n0.069016 0.853484 0.184221 Na\n0.577229 0.001206 0.521326 Na\n0.577224 0.478683 0.479887 Na\n0.577203 0.520114 0.998791 Na\n0.077229 0.998794 0.478674 Na\n0.077224 0.521317 0.520113 Na\n0.077203 0.479886 0.001209 Na\n0.578989 0.807841 0.141883 Na\n0.578981 0.858119 0.665966 Na\n0.579028 0.334036 0.192165 Na\n0.078989 0.192159 0.858117 Na\n0.078981 0.141881 0.334034 Na\n0.079028 0.665964 0.807835 Na\n0.090049 0.000001 0.999998 Na\n0.590049 0.999999 0.000002 Na\n0.060653 0.333381 0.666679 Na\n0.560653 0.666619 0.333321 Na\n0.556700 0.333357 0.666681 Na\n0.056700 0.666643 0.333319 Na\n0.805440 0.003463 0.331322 V\n0.805403 0.668667 0.672150 V\n0.805326 0.327866 0.996534 V\n0.305440 0.996537 0.668678 V\n0.305403 0.331333 0.327850 V\n0.305326 0.672134 0.003466 V\n0.352333 0.161100 0.510660 V\n0.352298 0.489315 0.650419 V\n0.352280 0.349592 0.838899 V\n0.852333 0.838900 0.489340 V\n0.852298 0.510685 0.349581 V\n0.852280 0.650408 0.161101 V\n0.374849 0.985830 0.160697 V\n0.374869 0.839316 0.825138 V\n0.374871 0.174874 0.014185 V\n0.874849 0.014170 0.839303 V\n0.874869 0.160684 0.174862 V\n0.874871 0.825126 0.985815 V\n0.850908 0.174568 0.679423 V\n0.850855 0.320617 0.495125 V\n0.850850 0.504869 0.825465 V\n0.350908 0.825432 0.320577 V\n0.350855 0.679383 0.504875 V\n0.350850 0.495131 0.174535 V\n0.781474 0.987143 0.155454 Zn\n0.781488 0.844537 0.831689 Zn\n0.781475 0.168311 0.012843 Zn\n0.281474 0.012857 0.844546 Zn\n0.281488 0.155463 0.168311 Zn\n0.281475 0.831689 0.987157 Zn\n0.365341 0.335202 0.999631 Zn\n0.365374 0.000345 0.335566 Zn\n0.365375 0.664431 0.664805 Zn\n0.865341 0.664798 0.000369 Zn\n0.865374 0.999655 0.664434 Zn\n0.865375 0.335569 0.335195 Zn\n0.759953 0.826954 0.318657 Zn\n0.759926 0.681351 0.508317 Zn\n0.759907 0.491684 0.173039 Zn\n0.259953 0.173046 0.681343 Zn\n0.259926 0.318649 0.491683 Zn\n0.259907 0.508316 0.826961 Zn\n0.762949 0.163082 0.505237 Zn\n0.762923 0.494772 0.657840 Zn\n0.762895 0.342182 0.836946 Zn\n0.262949 0.836918 0.494763 Zn\n0.262923 0.505228 0.342160 Zn\n0.262895 0.657818 0.163054 Zn\n0.274273 0.951275 0.066077 O\n0.274298 0.933928 0.885205 O\n0.274299 0.114796 0.048728 O\n0.774273 0.048725 0.933923 O\n0.774298 0.066072 0.114795 O\n0.774299 0.885204 0.951272 O\n0.063593 0.140093 0.201125 O\n0.063589 0.798857 0.938956 O\n0.063572 0.061041 0.859909 O\n0.563593 0.859907 0.798875 O\n0.563589 0.201143 0.061044 O\n0.563572 0.938959 0.140091 O\n0.872317 0.900882 0.288875 O\n0.872322 0.711131 0.612009 O\n0.872300 0.387989 0.099126 O\n0.372317 0.099118 0.711125 O\n0.372322 0.288869 0.387991 O\n0.372300 0.612011 0.900874 O\n0.889534 0.064873 0.430224 O\n0.889543 0.569776 0.634646 O\n0.889509 0.365370 0.935143 O\n0.389534 0.935127 0.569776 O\n0.389543 0.430224 0.365354 O\n0.389509 0.634630 0.064857 O\n0.403548 0.092481 0.209579 O\n0.403567 0.790421 0.882913 O\n0.403553 0.117105 0.907524 O\n0.903548 0.907519 0.790421 O\n0.903567 0.209579 0.117087 O\n0.903553 0.882895 0.092476 O\n0.305139 0.616904 0.548166 O\n0.305125 0.451841 0.068754 O\n0.305194 0.931213 0.383071 O\n0.805139 0.383096 0.451834 O\n0.805125 0.548159 0.931246 O\n0.805194 0.068787 0.616929 O\n0.343444 0.268893 0.556186 O\n0.343386 0.443795 0.712693 O\n0.343411 0.287320 0.731104 O\n0.843444 0.731107 0.443814 O\n0.843386 0.556205 0.287307 O\n0.843411 0.712680 0.268896 O\n0.847956 0.222675 0.619495 O\n0.847938 0.380514 0.603140 O\n0.847874 0.396844 0.777343 O\n0.347956 0.777325 0.380505 O\n0.347938 0.619486 0.396860 O\n0.347874 0.603156 0.222657 O\n0.267835 0.960215 0.226140 O\n0.267850 0.773866 0.734091 O\n0.267832 0.265919 0.039789 O\n0.767835 0.039785 0.773860 O\n0.767850 0.226134 0.265909 O\n0.767832 0.734082 0.960211 O\n0.714811 0.223143 0.761920 O\n0.714780 0.238079 0.461197 O\n0.714774 0.538800 0.776874 O\n0.214811 0.776857 0.238080 O\n0.214780 0.761921 0.538803 O\n0.214774 0.461200 0.223126 O\n0.798655 0.710079 0.116132 O\n0.798678 0.883886 0.593988 O\n0.798677 0.406033 0.289898 O\n0.298655 0.289921 0.883868 O\n0.298678 0.116114 0.406012 O\n0.298677 0.593967 0.710102 O\n0.364226 0.775677 0.044521 O\n0.364259 0.955491 0.731173 O\n0.364256 0.268836 0.224320 O\n0.864226 0.224323 0.955479 O\n0.864259 0.044509 0.268827 O\n0.864256 0.731164 0.775680 O\n0.038440 0.273556 0.460663 O\n0.038417 0.539312 0.812856 O\n0.038478 0.187171 0.726476 O\n0.538440 0.726444 0.539337 O\n0.538417 0.460688 0.187144 O\n0.538478 0.812829 0.273524 O\n0.599445 0.006528 0.337128 O\n0.599475 0.662854 0.669395 O\n0.599461 0.330617 0.993477 O\n0.099445 0.993472 0.662872 O\n0.099475 0.337146 0.330605 O\n0.099461 0.669383 0.006523 O\n0.223863 0.438654 0.564677 O\n0.223846 0.435336 0.873986 O\n0.223934 0.126025 0.561327 O\n0.723863 0.561346 0.435323 O\n0.723846 0.564664 0.126014 O\n0.723934 0.873975 0.438673 O\n0.044801 0.870272 0.478803 O\n0.044747 0.521226 0.391478 O\n0.044738 0.608502 0.129722 O\n0.544801 0.129728 0.521197 O\n0.544747 0.478774 0.608522 O\n0.544738 0.391498 0.870278 O\n","nsites":168,"nelements":4,"elements":["Na","V","Zn","O"],"chemical_system":"Na-O-V-Zn","density":3.2436860935326743,"density_atomic":0.06724647021579708,"volume":2498.2723920063036,"volume_molar":8.95532619135944,"formula_full":"Na24 V24 Zn24 O96","formula_reduced":"NaVZnO4","formula_anonymous":"ABCD4","energy":-1125.64793891,"energy_per_atom":-6.700285350654762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1018.89593891,"band_gap":3.3573000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0043077,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.267000Z","spacegroup":173},{"id":"mp-1201038","created_at":"2022-09-04T14:40:31.167918Z","structure_string":"K4 Na4 Al24 Si24 H16 O96\n1.0\n5.182626 -0.000017 -0.490040\n0.000210 18.077672 0.001609\n-0.031131 0.000008 19.890393\nK Na Al Si H O\n4 4 24 24 16 96\ndirect\n0.999912 0.451476 0.750016 K\n0.000007 0.045776 0.250040 K\n0.499919 0.801180 0.250066 K\n0.999963 0.952286 0.750039 K\n0.499622 0.213789 0.750198 Na\n0.499785 0.288263 0.250094 Na\n0.499545 0.710676 0.750201 Na\n0.999955 0.559945 0.250063 Na\n0.250338 0.456732 0.499723 Al\n0.464595 0.369238 0.637169 Al\n0.749553 0.456749 0.000369 Al\n0.535364 0.369320 0.862907 Al\n0.754510 0.043174 0.499286 Al\n0.538543 0.131644 0.361557 Al\n0.245357 0.043201 0.000799 Al\n0.461391 0.131644 0.138505 Al\n0.750338 0.208053 0.498647 Al\n0.249567 0.208073 0.001426 Al\n0.254018 0.292410 0.499520 Al\n0.745902 0.292424 0.000559 Al\n0.252937 0.956373 0.502326 Al\n0.468259 0.868856 0.638949 Al\n0.746985 0.956406 0.997768 Al\n0.531672 0.868926 0.861157 Al\n0.752337 0.542214 0.497670 Al\n0.542685 0.627547 0.360348 Al\n0.247598 0.542229 0.002447 Al\n0.457217 0.627536 0.139743 Al\n0.753629 0.706334 0.498705 Al\n0.246250 0.706364 0.001403 Al\n0.259065 0.791042 0.501279 Al\n0.740823 0.791062 0.998833 Al\n0.461500 0.035525 0.638210 Si\n0.538351 0.035579 0.861867 Si\n0.542177 0.463854 0.359826 Si\n0.457665 0.463843 0.140257 Si\n0.983862 0.284293 0.638303 Si\n0.949898 0.122303 0.637480 Si\n0.016124 0.284354 0.861787 Si\n0.049950 0.122342 0.862597 Si\n0.020331 0.216653 0.359976 Si\n0.052898 0.378612 0.360588 Si\n0.979584 0.216649 0.140102 Si\n0.946903 0.378595 0.139502 Si\n0.460777 0.535130 0.636868 Si\n0.539070 0.535194 0.863223 Si\n0.547997 0.965014 0.363523 Si\n0.451901 0.965024 0.136565 Si\n0.987453 0.783539 0.638906 Si\n0.949517 0.621716 0.636845 Si\n0.012486 0.783604 0.861215 Si\n0.050335 0.621761 0.863263 Si\n0.023629 0.712656 0.361231 Si\n0.059636 0.876730 0.364246 Si\n0.976268 0.712658 0.138883 Si\n0.940264 0.876732 0.135858 Si\n0.363472 0.171288 0.554775 H\n0.636530 0.171287 0.945376 H\n0.637004 0.327445 0.439662 H\n0.362955 0.327421 0.060465 H\n0.874337 0.425598 0.566414 H\n0.125540 0.425642 0.933674 H\n0.127991 0.071644 0.431194 H\n0.871939 0.071663 0.068905 H\n0.367758 0.669893 0.554806 H\n0.632163 0.669909 0.945356 H\n0.649444 0.829755 0.449059 H\n0.350408 0.829791 0.051043 H\n0.880612 0.927974 0.571196 H\n0.119295 0.927988 0.928922 H\n0.128999 0.573244 0.431439 H\n0.870902 0.573226 0.068675 H\n0.463994 0.028902 0.555774 O\n0.377263 0.374476 0.549928 O\n0.455939 0.217154 0.548528 O\n0.408522 0.457017 0.671572 O\n0.249110 0.096894 0.661449 O\n0.746645 0.066513 0.670345 O\n0.535877 0.028938 0.944299 O\n0.622630 0.374508 0.950155 O\n0.544010 0.217163 0.951540 O\n0.591419 0.457099 0.828513 O\n0.750688 0.096970 0.838628 O\n0.253187 0.066558 0.829727 O\n0.539057 0.471431 0.442372 O\n0.628536 0.125374 0.448648 O\n0.546662 0.282269 0.449562 O\n0.590288 0.043205 0.327917 O\n0.747805 0.399647 0.338067 O\n0.250371 0.436671 0.327568 O\n0.460821 0.471440 0.057710 O\n0.371364 0.125386 0.051417 O\n0.453277 0.282265 0.050505 O\n0.409575 0.043209 0.172163 O\n0.252012 0.399627 0.162004 O\n0.749427 0.436644 0.172512 O\n0.969374 0.274827 0.555325 O\n0.895983 0.124309 0.555567 O\n0.953344 0.469342 0.548660 O\n0.900983 0.203691 0.670402 O\n0.789987 0.348298 0.658954 O\n0.272736 0.302252 0.672603 O\n0.030611 0.274866 0.944758 O\n0.103855 0.124334 0.944510 O\n0.046525 0.469380 0.951428 O\n0.098938 0.203740 0.829687 O\n0.210056 0.348330 0.841104 O\n0.727269 0.302332 0.827491 O\n0.033771 0.226103 0.442963 O\n0.111355 0.376307 0.442439 O\n0.049259 0.028346 0.449871 O\n0.106853 0.297154 0.328021 O\n0.212837 0.152088 0.339703 O\n0.730779 0.198657 0.326125 O\n0.966151 0.226111 0.057109 O\n0.888509 0.376308 0.057648 O\n0.950622 0.028374 0.050203 O\n0.892972 0.297123 0.172057 O\n0.787131 0.152051 0.160347 O\n0.269160 0.198658 0.173947 O\n0.462642 0.528360 0.554385 O\n0.380928 0.873925 0.551859 O\n0.460642 0.715835 0.549203 O\n0.412078 0.957053 0.672773 O\n0.249445 0.596731 0.660391 O\n0.746124 0.565750 0.669441 O\n0.537226 0.528398 0.945705 O\n0.618968 0.873965 0.948247 O\n0.539267 0.715861 0.950906 O\n0.587857 0.957115 0.827310 O\n0.750361 0.596825 0.839722 O\n0.253701 0.565807 0.830653 O\n0.543138 0.971108 0.445779 O\n0.625041 0.624481 0.447982 O\n0.555184 0.783406 0.451037 O\n0.611747 0.540828 0.325099 O\n0.766634 0.906084 0.340286 O\n0.268201 0.930577 0.330969 O\n0.456730 0.971125 0.054308 O\n0.374838 0.624494 0.052124 O\n0.444682 0.783438 0.049090 O\n0.388117 0.540806 0.174985 O\n0.233274 0.906084 0.159809 O\n0.731701 0.930585 0.169124 O\n0.974406 0.773569 0.555991 O\n0.894774 0.623366 0.555002 O\n0.958182 0.970742 0.551304 O\n0.901927 0.702926 0.670443 O\n0.794786 0.848088 0.659373 O\n0.276153 0.801356 0.673689 O\n0.025512 0.773613 0.944127 O\n0.105076 0.623396 0.945108 O\n0.041714 0.970767 0.948787 O\n0.098074 0.702987 0.829679 O\n0.205188 0.848138 0.840738 O\n0.723779 0.801417 0.826434 O\n0.042152 0.722050 0.444289 O\n0.112033 0.874401 0.445959 O\n0.049099 0.529722 0.449292 O\n0.096199 0.795057 0.330897 O\n0.215766 0.648677 0.338140 O\n0.737501 0.693832 0.326869 O\n0.957727 0.722067 0.055823 O\n0.887839 0.874427 0.054143 O\n0.950775 0.529716 0.050801 O\n0.903680 0.795051 0.169201 O\n0.784124 0.648665 0.161961 O\n0.262414 0.693826 0.173234 O\n","nsites":168,"nelements":6,"elements":["K","Na","Al","Si","H","O"],"chemical_system":"Al-H-K-Na-O-Si","density":2.7823694671022623,"density_atomic":0.09016496567026899,"volume":1863.2514164578265,"volume_molar":6.679025179272864,"formula_full":"K4 Na4 Al24 Si24 H16 O96","formula_reduced":"KNaAl6Si6(HO6)4","formula_anonymous":"ABC4D6E6F24","energy":-1261.96551061,"energy_per_atom":-7.511699467916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1196.01351061,"band_gap":4.7898000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003556,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.045000Z","spacegroup":3},{"id":"mp-1199453","created_at":"2022-09-04T14:41:57.835796Z","structure_string":"K24 Li24 Mo24 O96\n1.0\n0.000000 0.000000 -9.114670\n-9.664131 -16.738768 0.000000\n-9.664202 16.738809 0.000000\nK Li Mo O\n24 24 24 96\ndirect\n0.230696 1.000000 1.000000 K\n0.730696 0.000000 0.000000 K\n0.239830 0.333386 0.666693 K\n0.739830 0.666614 0.333307 K\n0.168104 0.666637 0.333319 K\n0.668104 0.333363 0.666681 K\n0.175420 0.154387 0.325371 K\n0.175417 0.674631 0.829019 K\n0.175417 0.170982 0.845610 K\n0.675420 0.845613 0.674628 K\n0.675417 0.325369 0.170981 K\n0.675417 0.829018 0.154390 K\n0.199405 0.000827 0.496934 K\n0.199405 0.503066 0.503892 K\n0.199405 0.496107 0.999173 K\n0.699405 0.999173 0.503066 K\n0.699405 0.496934 0.496108 K\n0.699405 0.503893 0.000827 K\n0.242827 0.837855 0.176446 K\n0.242825 0.823557 0.661410 K\n0.242827 0.338588 0.162145 K\n0.742826 0.162145 0.823554 K\n0.742825 0.176443 0.338590 K\n0.742827 0.661412 0.837855 K\n0.378360 0.171683 0.161105 Li\n0.378360 0.838896 0.010578 Li\n0.378359 0.989421 0.828315 Li\n0.878360 0.828317 0.838895 Li\n0.878360 0.161104 0.989422 Li\n0.878359 0.010579 0.171685 Li\n0.540830 0.989299 0.327641 Li\n0.540831 0.672362 0.661659 Li\n0.540832 0.338338 0.010698 Li\n0.040830 0.010701 0.672359 Li\n0.040831 0.327638 0.338341 Li\n0.040832 0.661662 0.989302 Li\n0.543476 0.171527 0.661718 Li\n0.543472 0.338276 0.509802 Li\n0.543470 0.490200 0.828481 Li\n0.043476 0.828473 0.338282 Li\n0.043472 0.661724 0.490198 Li\n0.043470 0.509800 0.171519 Li\n0.538846 0.490966 0.329308 Li\n0.538850 0.670695 0.161661 Li\n0.538854 0.838340 0.509030 Li\n0.038846 0.509034 0.670692 Li\n0.038850 0.329305 0.838339 Li\n0.038854 0.161660 0.490970 Li\n0.495388 0.013228 0.166965 Mo\n0.495387 0.833034 0.846262 Mo\n0.495387 0.153735 0.986770 Mo\n0.995388 0.986772 0.833035 Mo\n0.995387 0.166966 0.153738 Mo\n0.995387 0.846265 0.013230 Mo\n0.425757 0.333417 0.345169 Mo\n0.425756 0.654831 0.988248 Mo\n0.425761 0.011752 0.666582 Mo\n0.925757 0.666583 0.654831 Mo\n0.925756 0.345169 0.011752 Mo\n0.925761 0.988248 0.333418 Mo\n0.435776 0.832467 0.343478 Mo\n0.435776 0.656521 0.488993 Mo\n0.435777 0.511004 0.167525 Mo\n0.935776 0.167533 0.656522 Mo\n0.935776 0.343479 0.511007 Mo\n0.935777 0.488996 0.832475 Mo\n0.432146 0.155102 0.486737 Mo\n0.432142 0.513266 0.668366 Mo\n0.432148 0.331629 0.844894 Mo\n0.932146 0.844898 0.513263 Mo\n0.932142 0.486734 0.331634 Mo\n0.932148 0.668371 0.155106 Mo\n0.678417 0.053244 0.186423 O\n0.678421 0.813576 0.866822 O\n0.678420 0.133178 0.946755 O\n0.178417 0.946756 0.813577 O\n0.178421 0.186424 0.133178 O\n0.178420 0.866822 0.053245 O\n0.465880 0.958726 0.219240 O\n0.465882 0.780760 0.739488 O\n0.465882 0.260514 0.041274 O\n0.965880 0.041274 0.780760 O\n0.965882 0.219240 0.260512 O\n0.965882 0.739486 0.958726 O\n0.366985 0.094587 0.200029 O\n0.366988 0.799972 0.894558 O\n0.366986 0.105442 0.905414 O\n0.866985 0.905413 0.799971 O\n0.866988 0.200028 0.105442 O\n0.866986 0.894558 0.094586 O\n0.476750 0.945314 0.061667 O\n0.476752 0.938335 0.883648 O\n0.476752 0.116353 0.054686 O\n0.976750 0.054686 0.938333 O\n0.976752 0.061665 0.116352 O\n0.976752 0.883647 0.945314 O\n0.441911 0.439217 0.382152 O\n0.441911 0.617848 0.057065 O\n0.441913 0.942936 0.560787 O\n0.941911 0.560783 0.617848 O\n0.941911 0.382152 0.942935 O\n0.941913 0.057064 0.439213 O\n0.556590 0.303517 0.395206 O\n0.556591 0.604794 0.908311 O\n0.556592 0.091691 0.696486 O\n0.056590 0.696483 0.604794 O\n0.056591 0.395206 0.091689 O\n0.056592 0.908309 0.303514 O\n0.244779 0.311610 0.365059 O\n0.244779 0.634940 0.946550 O\n0.244783 0.053448 0.688392 O\n0.744779 0.688390 0.634941 O\n0.744779 0.365060 0.053450 O\n0.744783 0.946552 0.311608 O\n0.456614 0.278898 0.238513 O\n0.456613 0.761486 0.040385 O\n0.456616 0.959612 0.721105 O\n0.956614 0.721102 0.761487 O\n0.956613 0.238514 0.959615 O\n0.956616 0.040388 0.278895 O\n0.559668 0.800303 0.394631 O\n0.559666 0.605363 0.405674 O\n0.559665 0.594323 0.199688 O\n0.059668 0.199697 0.605369 O\n0.059666 0.394637 0.594326 O\n0.059665 0.405677 0.800312 O\n0.472857 0.780653 0.237499 O\n0.472858 0.762499 0.543154 O\n0.472860 0.456847 0.219346 O\n0.972857 0.219347 0.762501 O\n0.972858 0.237501 0.456846 O\n0.972860 0.543153 0.780654 O\n0.449964 0.938414 0.382956 O\n0.449967 0.617043 0.555462 O\n0.449968 0.444537 0.061579 O\n0.949964 0.061586 0.617044 O\n0.949967 0.382957 0.444538 O\n0.949968 0.555463 0.938421 O\n0.251269 0.810948 0.359207 O\n0.251271 0.640789 0.451750 O\n0.251268 0.548246 0.189036 O\n0.751269 0.189052 0.640793 O\n0.751271 0.359211 0.548250 O\n0.751268 0.451754 0.810964 O\n0.553288 0.105913 0.402066 O\n0.553289 0.597936 0.703847 O\n0.553288 0.296153 0.894087 O\n0.053288 0.894087 0.597934 O\n0.053289 0.402064 0.296153 O\n0.053288 0.703847 0.105913 O\n0.459290 0.116033 0.552572 O\n0.459288 0.447429 0.563466 O\n0.459288 0.436539 0.883963 O\n0.959290 0.883967 0.447428 O\n0.959288 0.552571 0.436534 O\n0.959288 0.563461 0.116037 O\n0.463857 0.261734 0.540037 O\n0.463854 0.459968 0.721700 O\n0.463857 0.278307 0.738269 O\n0.963857 0.738266 0.459963 O\n0.963854 0.540032 0.278300 O\n0.963857 0.721693 0.261731 O\n0.246111 0.134209 0.451647 O\n0.246105 0.548353 0.682563 O\n0.246108 0.317438 0.865790 O\n0.746111 0.865791 0.548353 O\n0.746105 0.451647 0.317437 O\n0.746108 0.682562 0.134210 O\n","nsites":168,"nelements":4,"elements":["K","Li","Mo","O"],"chemical_system":"K-Li-Mo-O","density":2.7836811340013523,"density_atomic":0.0569704842533023,"volume":2948.895418424706,"volume_molar":10.570632914448021,"formula_full":"K24 Li24 Mo24 O96","formula_reduced":"KLiMoO4","formula_anonymous":"ABCD4","energy":-1186.45837938,"energy_per_atom":-7.0622522582142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1043.65837938,"band_gap":4.4886,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.259000Z","spacegroup":173},{"id":"mp-680077","created_at":"2022-09-04T14:43:21.635971Z","structure_string":"Ta48 Br120\n1.0\n-10.859909 10.859909 10.859909\n10.859909 -10.859909 10.859909\n10.859909 10.859909 -10.859909\nTa Br\n48 120\ndirect\n0.396113 0.983623 0.524400 Ta\n0.412490 0.016377 0.040777 Ta\n0.024400 0.483623 0.896113 Ta\n0.959223 0.871714 0.975600 Ta\n0.371714 0.412490 0.896113 Ta\n0.483623 0.087510 0.459223 Ta\n0.475600 0.603887 0.016377 Ta\n0.896113 0.371714 0.412490 Ta\n0.524400 0.628286 0.540777 Ta\n0.540777 0.524400 0.628286 Ta\n0.087510 0.128286 0.603887 Ta\n0.896113 0.024400 0.483623 Ta\n0.871714 0.396113 0.912490 Ta\n0.912490 0.540777 0.516377 Ta\n0.396113 0.912490 0.871714 Ta\n0.959223 0.587510 0.983623 Ta\n0.371714 0.459223 0.475600 Ta\n0.524400 0.396113 0.983623 Ta\n0.040777 0.412490 0.016377 Ta\n0.983623 0.959223 0.587510 Ta\n0.483623 0.896113 0.024400 Ta\n0.983623 0.524400 0.396113 Ta\n0.628286 0.587510 0.103887 Ta\n0.087510 0.459223 0.483623 Ta\n0.628286 0.540777 0.524400 Ta\n0.103887 0.628286 0.587510 Ta\n0.516377 0.103887 0.975600 Ta\n0.871714 0.975600 0.959223 Ta\n0.024400 0.040777 0.128286 Ta\n0.603887 0.087510 0.128286 Ta\n0.128286 0.603887 0.087510 Ta\n0.040777 0.128286 0.024400 Ta\n0.603887 0.016377 0.475600 Ta\n0.975600 0.516377 0.103887 Ta\n0.516377 0.912490 0.540777 Ta\n0.975600 0.959223 0.871714 Ta\n0.128286 0.024400 0.040777 Ta\n0.459223 0.483623 0.087510 Ta\n0.103887 0.975600 0.516377 Ta\n0.912490 0.871714 0.396113 Ta\n0.587510 0.983623 0.959223 Ta\n0.459223 0.475600 0.371714 Ta\n0.016377 0.040777 0.412490 Ta\n0.475600 0.371714 0.459223 Ta\n0.540777 0.516377 0.912490 Ta\n0.587510 0.103887 0.628286 Ta\n0.412490 0.896113 0.371714 Ta\n0.016377 0.475600 0.603887 Ta\n0.293397 0.372718 0.979515 Br\n0.607104 0.553552 0.803552 Br\n0.628483 0.394849 0.487904 Br\n0.371517 0.605151 0.512096 Br\n0.946448 0.892896 0.696448 Br\n0.105151 0.871517 0.012096 Br\n0.392896 0.446448 0.196448 Br\n0.479515 0.106798 0.686119 Br\n0.128483 0.987904 0.894849 Br\n0.686119 0.706603 0.579321 Br\n0.393202 0.872718 0.579321 Br\n0.512096 0.371517 0.605151 Br\n0.520485 0.127282 0.206603 Br\n0.893202 0.313881 0.520485 Br\n0.605151 0.512096 0.371517 Br\n0.196448 0.303552 0.750000 Br\n0.696448 0.946448 0.892896 Br\n0.987904 0.593056 0.859421 Br\n0.020485 0.813881 0.393202 Br\n0.793397 0.479515 0.872718 Br\n0.406944 0.766366 0.394849 Br\n0.733634 0.093056 0.105151 Br\n0.872718 0.579321 0.393202 Br\n0.605151 0.593056 0.233634 Br\n0.871517 0.359421 0.766366 Br\n0.053552 0.107104 0.303552 Br\n0.266366 0.906944 0.894849 Br\n0.303552 0.053552 0.107104 Br\n0.446448 0.750000 0.053552 Br\n0.894849 0.266366 0.906944 Br\n0.553552 0.250000 0.946448 Br\n0.372718 0.893202 0.079321 Br\n0.750000 0.196448 0.303552 Br\n0.750000 0.053552 0.446448 Br\n0.106798 0.686119 0.479515 Br\n0.053552 0.446448 0.750000 Br\n0.871517 0.012096 0.105151 Br\n0.186119 0.606798 0.979515 Br\n0.706603 0.579321 0.686119 Br\n0.593056 0.859421 0.987904 Br\n0.107104 0.303552 0.053552 Br\n0.093056 0.105151 0.733634 Br\n0.803552 0.696448 0.250000 Br\n0.813881 0.920679 0.793397 Br\n0.012096 0.105151 0.871517 Br\n0.628483 0.733634 0.140579 Br\n0.627282 0.106798 0.920679 Br\n0.371517 0.266366 0.859421 Br\n0.606798 0.127282 0.420679 Br\n0.206603 0.520485 0.127282 Br\n0.593056 0.233634 0.605151 Br\n0.512096 0.640579 0.906944 Br\n0.359421 0.093056 0.487904 Br\n0.420679 0.606798 0.127282 Br\n0.394849 0.487904 0.628483 Br\n0.105151 0.733634 0.093056 Br\n0.553552 0.803552 0.607104 Br\n0.487904 0.628483 0.394849 Br\n0.406944 0.140579 0.012096 Br\n0.487904 0.359421 0.093056 Br\n0.920679 0.793397 0.813881 Br\n0.303552 0.750000 0.196448 Br\n0.793397 0.813881 0.920679 Br\n0.446448 0.196448 0.392896 Br\n0.686119 0.479515 0.106798 Br\n0.106798 0.920679 0.627282 Br\n0.894849 0.128483 0.987904 Br\n0.979515 0.293397 0.372718 Br\n0.233634 0.605151 0.593056 Br\n0.250000 0.803552 0.696448 Br\n0.627282 0.020485 0.706603 Br\n0.140579 0.012096 0.406944 Br\n0.140579 0.628483 0.733634 Br\n0.640579 0.906944 0.512096 Br\n0.020485 0.706603 0.627282 Br\n0.906944 0.894849 0.266366 Br\n0.093056 0.487904 0.359421 Br\n0.872718 0.793397 0.479515 Br\n0.946448 0.553552 0.250000 Br\n0.859421 0.371517 0.266366 Br\n0.127282 0.206603 0.520485 Br\n0.359421 0.766366 0.871517 Br\n0.579321 0.393202 0.872718 Br\n0.250000 0.946448 0.553552 Br\n0.393202 0.020485 0.813881 Br\n0.420679 0.313881 0.293397 Br\n0.766366 0.871517 0.359421 Br\n0.893202 0.079321 0.372718 Br\n0.906944 0.512096 0.640579 Br\n0.012096 0.406944 0.140579 Br\n0.372718 0.979515 0.293397 Br\n0.813881 0.393202 0.020485 Br\n0.128483 0.640579 0.233634 Br\n0.803552 0.607104 0.553552 Br\n0.206603 0.186119 0.079321 Br\n0.394849 0.406944 0.766366 Br\n0.079321 0.206603 0.186119 Br\n0.293397 0.420679 0.313881 Br\n0.979515 0.186119 0.606798 Br\n0.313881 0.520485 0.893202 Br\n0.920679 0.627282 0.106798 Br\n0.892896 0.696448 0.946448 Br\n0.079321 0.372718 0.893202 Br\n0.196448 0.392896 0.446448 Br\n0.479515 0.872718 0.793397 Br\n0.859421 0.987904 0.593056 Br\n0.579321 0.686119 0.706603 Br\n0.640579 0.233634 0.128483 Br\n0.520485 0.893202 0.313881 Br\n0.127282 0.420679 0.606798 Br\n0.766366 0.394849 0.406944 Br\n0.987904 0.894849 0.128483 Br\n0.706603 0.627282 0.020485 Br\n0.696448 0.250000 0.803552 Br\n0.266366 0.859421 0.371517 Br\n0.606798 0.979515 0.186119 Br\n0.733634 0.140579 0.628483 Br\n0.233634 0.128483 0.640579 Br\n0.186119 0.079321 0.206603 Br\n0.313881 0.293397 0.420679 Br\n","nsites":168,"nelements":2,"elements":["Ta","Br"],"chemical_system":"Br-Ta","density":5.923026165844063,"density_atomic":0.03279221343637781,"volume":5123.167435035977,"volume_molar":18.364544899306434,"formula_full":"Ta48 Br120","formula_reduced":"Ta2Br5","formula_anonymous":"A2B5","energy":-982.27182573,"energy_per_atom":-5.846856105535714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-918.19182573,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0027697,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.420000Z","spacegroup":230}]}