{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12104","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12102","results":[{"id":"mp-555319","created_at":"2022-09-04T14:42:57.768725Z","structure_string":"Rb12 Ti12 P20 O80\n1.0\n6.375058 0.000000 0.000000\n0.000000 15.085318 0.000000\n0.000000 0.000000 18.679486\nRb Ti P O\n12 12 20 80\ndirect\n0.633001 0.472225 0.849056 Rb\n0.659530 0.750000 0.826644 Rb\n0.366999 0.027775 0.349056 Rb\n0.633001 0.527775 0.650944 Rb\n0.366999 0.527775 0.150944 Rb\n0.633001 0.027775 0.849056 Rb\n0.633001 0.972225 0.650944 Rb\n0.659530 0.250000 0.673356 Rb\n0.340470 0.750000 0.326644 Rb\n0.340470 0.250000 0.173356 Rb\n0.366999 0.972225 0.150944 Rb\n0.366999 0.472225 0.349056 Rb\n0.254723 0.250000 0.853074 Ti\n0.756419 0.368203 0.047117 Ti\n0.756419 0.631797 0.452883 Ti\n0.243581 0.131797 0.547117 Ti\n0.756419 0.868203 0.452883 Ti\n0.254723 0.750000 0.646926 Ti\n0.243581 0.631797 0.952883 Ti\n0.243581 0.368203 0.547117 Ti\n0.745277 0.750000 0.146926 Ti\n0.745277 0.250000 0.353074 Ti\n0.756419 0.131797 0.047117 Ti\n0.243581 0.868203 0.952883 Ti\n0.745595 0.101031 0.495558 P\n0.243066 0.250000 0.398379 P\n0.745595 0.398969 0.495558 P\n0.254405 0.601031 0.504442 P\n0.146468 0.595899 0.775667 P\n0.745595 0.601031 0.004442 P\n0.146468 0.404101 0.724333 P\n0.853532 0.904101 0.275667 P\n0.853532 0.095899 0.224333 P\n0.243066 0.750000 0.101621 P\n0.745595 0.898969 0.004442 P\n0.254405 0.898969 0.504442 P\n0.853532 0.404101 0.224333 P\n0.146468 0.904101 0.775667 P\n0.254405 0.101031 0.995558 P\n0.756934 0.250000 0.898379 P\n0.254405 0.398969 0.995558 P\n0.853532 0.595899 0.275667 P\n0.756934 0.750000 0.601621 P\n0.146468 0.095899 0.724333 P\n0.744277 0.002037 0.477489 O\n0.088471 0.098805 0.225088 O\n0.753939 0.835577 0.556443 O\n0.954925 0.250000 0.850411 O\n0.255723 0.997963 0.522511 O\n0.911529 0.401195 0.725088 O\n0.261573 0.343341 0.925575 O\n0.432994 0.250000 0.346728 O\n0.748413 0.396594 0.149996 O\n0.246061 0.335577 0.443557 O\n0.059904 0.874698 0.458626 O\n0.940096 0.374698 0.541374 O\n0.246061 0.664423 0.056443 O\n0.255723 0.497963 0.977489 O\n0.251587 0.603406 0.850004 O\n0.744277 0.502037 0.022511 O\n0.738252 0.840617 0.224074 O\n0.555673 0.374896 0.543982 O\n0.251587 0.103406 0.649996 O\n0.261748 0.659383 0.724074 O\n0.261748 0.159383 0.775926 O\n0.261573 0.843341 0.574425 O\n0.432994 0.750000 0.153272 O\n0.255723 0.502037 0.522511 O\n0.236686 0.500000 0.750000 O\n0.738252 0.659383 0.224074 O\n0.738252 0.159383 0.275926 O\n0.236686 0.000000 0.750000 O\n0.251587 0.896594 0.850004 O\n0.763314 0.500000 0.250000 O\n0.088471 0.901195 0.274912 O\n0.248625 0.750000 0.931505 O\n0.246061 0.164423 0.443557 O\n0.911529 0.598805 0.774912 O\n0.744277 0.497963 0.477489 O\n0.753939 0.335577 0.943557 O\n0.940096 0.125302 0.541374 O\n0.444327 0.625104 0.456018 O\n0.059904 0.374698 0.041374 O\n0.738427 0.156659 0.425575 O\n0.753939 0.664423 0.556443 O\n0.753939 0.164423 0.943557 O\n0.444327 0.874896 0.456018 O\n0.045075 0.750000 0.149589 O\n0.954925 0.750000 0.649589 O\n0.261573 0.656659 0.574425 O\n0.555673 0.125104 0.543982 O\n0.738427 0.843341 0.074425 O\n0.567006 0.750000 0.653272 O\n0.261748 0.340617 0.775926 O\n0.751375 0.250000 0.068495 O\n0.738427 0.343341 0.425575 O\n0.059904 0.125302 0.041374 O\n0.940096 0.625302 0.958626 O\n0.059904 0.625302 0.458626 O\n0.444327 0.125104 0.043982 O\n0.763314 0.000000 0.250000 O\n0.555673 0.625104 0.956018 O\n0.261573 0.156659 0.925575 O\n0.255723 0.002037 0.977489 O\n0.444327 0.374896 0.043982 O\n0.567006 0.250000 0.846728 O\n0.248625 0.250000 0.568495 O\n0.748413 0.603406 0.350004 O\n0.261748 0.840617 0.724074 O\n0.940096 0.874698 0.958626 O\n0.744277 0.997963 0.022511 O\n0.738252 0.340617 0.275926 O\n0.251587 0.396594 0.649996 O\n0.246061 0.835577 0.056443 O\n0.045075 0.250000 0.350411 O\n0.748413 0.896594 0.350004 O\n0.555673 0.874896 0.956018 O\n0.911529 0.901195 0.774912 O\n0.751375 0.750000 0.431505 O\n0.748413 0.103406 0.149996 O\n0.088471 0.598805 0.274912 O\n0.911529 0.098805 0.725088 O\n0.738427 0.656659 0.074425 O\n0.088471 0.401195 0.225088 O\n","nsites":124,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.234779768799289,"density_atomic":0.06902686566287332,"volume":1796.4020068014538,"volume_molar":8.724343343955509,"formula_full":"Rb12 Ti12 P20 O80","formula_reduced":"Rb3Ti3(PO4)5","formula_anonymous":"A3B3C5D20","energy":-980.29783248,"energy_per_atom":-7.905627681290323,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-925.33783248,"band_gap":2.5974000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3216438,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.498000Z","spacegroup":57},{"id":"mp-1202817","created_at":"2022-09-04T14:42:57.770739Z","structure_string":"Mg4 B24 O64\n1.0\n9.956776 0.000000 0.000000\n0.000000 10.892605 0.000000\n0.000000 0.102198 10.928549\nMg B O\n4 24 64\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.384411 0.794704 0.711897 B\n0.884411 0.705296 0.288103 B\n0.615589 0.205296 0.288103 B\n0.115589 0.294704 0.711897 B\n0.607390 0.732407 0.617188 B\n0.107390 0.767593 0.382812 B\n0.392610 0.267593 0.382812 B\n0.892610 0.232407 0.617188 B\n0.596209 0.901270 0.776008 B\n0.096209 0.598730 0.223992 B\n0.403791 0.098730 0.223992 B\n0.903791 0.401270 0.776008 B\n0.402770 0.607007 0.593095 B\n0.902770 0.892993 0.406905 B\n0.597230 0.392993 0.406905 B\n0.097230 0.107007 0.593095 B\n0.398761 0.896442 0.910367 B\n0.898761 0.603558 0.089633 B\n0.601239 0.103558 0.089633 B\n0.101239 0.396442 0.910367 B\n0.803341 0.800565 0.723213 B\n0.303341 0.699435 0.276787 B\n0.196659 0.199435 0.276787 B\n0.696659 0.300565 0.723213 B\n0.382157 0.890263 0.613752 O\n0.882157 0.609737 0.386248 O\n0.617843 0.109737 0.386248 O\n0.117843 0.390263 0.613752 O\n0.584687 0.832479 0.528249 O\n0.084687 0.667521 0.471751 O\n0.415313 0.167521 0.471751 O\n0.915313 0.332479 0.528249 O\n0.568035 0.987196 0.675300 O\n0.068035 0.512804 0.324700 O\n0.431965 0.012804 0.324700 O\n0.931965 0.487196 0.675300 O\n0.329629 0.519138 0.533857 O\n0.829629 0.980862 0.466143 O\n0.670371 0.480862 0.466143 O\n0.170371 0.019138 0.533857 O\n0.344376 0.903391 0.026531 O\n0.844376 0.596609 0.973469 O\n0.655624 0.096609 0.973469 O\n0.155624 0.403391 0.026531 O\n0.952623 0.793406 0.733000 O\n0.452623 0.706594 0.267000 O\n0.047377 0.206594 0.267000 O\n0.547377 0.293406 0.733000 O\n0.612431 0.611739 0.890091 O\n0.112431 0.888261 0.109909 O\n0.387569 0.388261 0.109909 O\n0.887569 0.111739 0.890091 O\n0.338519 0.608104 0.007774 O\n0.838519 0.891896 0.992226 O\n0.661481 0.391896 0.992226 O\n0.161481 0.108104 0.007774 O\n0.489015 0.351003 0.823053 O\n0.989015 0.148997 0.176947 O\n0.510985 0.648997 0.176947 O\n0.010985 0.851003 0.823053 O\n0.537147 0.777326 0.735292 O\n0.037147 0.722674 0.264708 O\n0.462853 0.222674 0.264708 O\n0.962853 0.277326 0.735292 O\n0.322790 0.840338 0.822027 O\n0.822790 0.659662 0.177973 O\n0.677210 0.159662 0.177973 O\n0.177210 0.340338 0.822027 O\n0.329085 0.681999 0.669003 O\n0.829085 0.818001 0.330997 O\n0.670915 0.318001 0.330997 O\n0.170915 0.181999 0.669003 O\n0.540199 0.621576 0.578349 O\n0.040199 0.878424 0.421651 O\n0.459801 0.378424 0.421651 O\n0.959801 0.121576 0.578349 O\n0.751168 0.721543 0.642888 O\n0.251168 0.778457 0.357112 O\n0.248832 0.278457 0.357112 O\n0.748832 0.221543 0.642888 O\n0.529254 0.934031 0.888018 O\n0.029254 0.565969 0.111982 O\n0.470746 0.065969 0.111982 O\n0.970746 0.434031 0.888018 O\n0.741205 0.887492 0.788757 O\n0.241205 0.612508 0.211243 O\n0.258795 0.112508 0.211243 O\n0.758795 0.387492 0.788757 O\n","nsites":92,"nelements":3,"elements":["Mg","B","O"],"chemical_system":"B-Mg-O","density":1.9342754286578605,"density_atomic":0.0776202132661086,"volume":1185.2582739574882,"volume_molar":7.75846974209417,"formula_full":"Mg4 B24 O64","formula_reduced":"Mg(B3O8)2","formula_anonymous":"AB6C16","energy":-606.20065753,"energy_per_atom":-6.589137581847825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-595.89665753,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.7170912,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.874000Z","spacegroup":14},{"id":"mp-559970","created_at":"2022-09-04T14:42:57.804963Z","structure_string":"Cr6 P8 O28\n1.0\n4.800355 0.000000 0.000000\n0.301506 8.018020 0.000000\n0.057040 0.094902 12.896301\nCr P O\n6 8 28\ndirect\n0.765799 0.990979 0.732302 Cr\n0.714944 0.489557 0.762384 Cr\n0.000000 0.000000 0.500000 Cr\n0.234201 0.009021 0.267698 Cr\n0.285056 0.510443 0.237616 Cr\n0.500000 0.500000 0.000000 Cr\n0.241500 0.238090 0.844103 P\n0.233372 0.706076 0.650545 P\n0.766628 0.293924 0.349455 P\n0.505535 0.252594 0.561273 P\n0.758500 0.761910 0.155897 P\n0.028066 0.250544 0.062372 P\n0.494465 0.747406 0.438727 P\n0.971934 0.749456 0.937628 P\n0.655748 0.339111 0.464457 O\n0.211370 0.207034 0.533833 O\n0.059344 0.118101 0.143555 O\n0.940656 0.881899 0.856445 O\n0.017947 0.581414 0.678421 O\n0.812480 0.821937 0.038341 O\n0.316143 0.910922 0.415056 O\n0.591726 0.597397 0.140387 O\n0.474484 0.624549 0.351492 O\n0.683857 0.089078 0.584944 O\n0.959962 0.279462 0.792379 O\n0.590599 0.899572 0.206351 O\n0.344252 0.660889 0.535543 O\n0.269565 0.701919 0.966707 O\n0.191398 0.411662 0.092292 O\n0.040038 0.720538 0.207621 O\n0.409401 0.100428 0.793649 O\n0.730435 0.298081 0.033293 O\n0.187520 0.178063 0.961659 O\n0.982053 0.418586 0.321579 O\n0.525516 0.375451 0.648508 O\n0.788630 0.792966 0.466167 O\n0.408274 0.402603 0.859613 O\n0.808602 0.588338 0.907708 O\n0.895662 0.112236 0.361899 O\n0.514202 0.296935 0.276618 O\n0.104338 0.887764 0.638101 O\n0.485798 0.703065 0.723382 O\n","nsites":42,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.371290737464527,"density_atomic":0.08461427512549104,"volume":496.37014484506307,"volume_molar":7.117168765044186,"formula_full":"Cr6 P8 O28","formula_reduced":"Cr3(P2O7)2","formula_anonymous":"A3B4C14","energy":-348.26821919,"energy_per_atom":-8.292100456904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-317.03821919,"band_gap":1.1240000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9988116,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.334000Z","spacegroup":2},{"id":"mp-1187211","created_at":"2022-09-04T14:42:57.847552Z","structure_string":"Ta2 Ru1 W1\n1.0\n0.000000 3.211836 3.211836\n3.211836 0.000000 3.211836\n3.211836 3.211836 0.000000\nTa Ru W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 W\n","nsites":4,"nelements":3,"elements":["Ta","Ru","W"],"chemical_system":"Ru-Ta-W","density":16.20812941805435,"density_atomic":0.06036287422397185,"volume":66.26589690143489,"volume_molar":9.976563968202218,"formula_full":"Ta2 Ru1 W1","formula_reduced":"Ta2RuW","formula_anonymous":"ABC2","energy":-47.08025101,"energy_per_atom":-11.7700627525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.08025101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.39e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.453000Z","spacegroup":225},{"id":"mp-23041","created_at":"2022-09-04T14:42:57.854168Z","structure_string":"Sb4 S4 I4\n1.0\n4.110742 0.000000 0.000000\n0.000000 9.019783 0.000000\n0.000000 0.000000 10.786730\nSb S I\n4 4 4\ndirect\n0.750000 0.601919 0.375379 Sb\n0.750000 0.101919 0.124621 Sb\n0.250000 0.398081 0.624621 Sb\n0.250000 0.898081 0.875379 Sb\n0.750000 0.846596 0.035641 S\n0.250000 0.153404 0.964359 S\n0.250000 0.653404 0.535641 S\n0.750000 0.346596 0.464359 S\n0.750000 0.024479 0.683946 I\n0.250000 0.975521 0.316054 I\n0.750000 0.524479 0.816054 I\n0.250000 0.475521 0.183946 I\n","nsites":12,"nelements":3,"elements":["Sb","S","I"],"chemical_system":"I-S-Sb","density":4.662200824088629,"density_atomic":0.0300037216866676,"volume":399.9503836663136,"volume_molar":20.07131256212121,"formula_full":"Sb4 S4 I4","formula_reduced":"SbSI","formula_anonymous":"ABC","energy":-46.43189728,"energy_per_atom":-3.8693247733333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.90389728,"band_gap":1.6276000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019183,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.217000Z","spacegroup":62},{"id":"mp-864878","created_at":"2022-09-04T14:42:57.922410Z","structure_string":"Zr1 Al1 Au2\n1.0\n0.000000 3.331889 3.331889\n3.331889 0.000000 3.331889\n3.331889 3.331889 0.000000\nZr Al Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Al","Au"],"chemical_system":"Al-Au-Zr","density":11.495691555628532,"density_atomic":0.054070255474598795,"volume":73.97782690113469,"volume_molar":11.137622167938693,"formula_full":"Zr1 Al1 Au2","formula_reduced":"ZrAlAu2","formula_anonymous":"ABC2","energy":-20.97743056,"energy_per_atom":-5.24435764,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.97743056,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003866,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.374000Z","spacegroup":225},{"id":"mp-684816","created_at":"2022-09-04T14:42:57.957828Z","structure_string":"K4 Na2 Nb2 O4 F8\n1.0\n-6.078101 0.000000 0.000000\n-0.002586 6.083427 0.000000\n-0.008677 0.027963 -8.639446\nK Na Nb O F\n4 2 2 4 8\ndirect\n0.000679 0.497399 0.247411 K\n0.498069 0.995613 0.247799 K\n0.504732 0.001261 0.746335 K\n0.002563 0.500709 0.753836 K\n0.499843 0.504840 0.001545 Na\n0.000572 0.002530 0.498857 Na\n0.999821 0.003633 0.998909 Nb\n0.497770 0.502775 0.500071 Nb\n0.222380 0.223496 0.002130 O\n0.277794 0.725347 0.500019 O\n0.716463 0.278018 0.498110 O\n0.776956 0.782796 0.999840 O\n0.736666 0.737572 0.496736 F\n0.002216 0.006511 0.764055 F\n0.998463 0.001695 0.235176 F\n0.233699 0.764484 0.002174 F\n0.495199 0.504804 0.263403 F\n0.496469 0.501670 0.735135 F\n0.762917 0.240999 0.997179 F\n0.258819 0.268220 0.497809 F\n","nsites":20,"nelements":5,"elements":["K","Na","Nb","O","F"],"chemical_system":"F-K-Na-Nb-O","density":3.1405548239459256,"density_atomic":0.06260771992444515,"volume":319.4494229167897,"volume_molar":9.618846952528385,"formula_full":"K4 Na2 Nb2 O4 F8","formula_reduced":"K2NaNb(OF2)2","formula_anonymous":"ABC2D2E4","energy":-121.98987415000002,"energy_per_atom":-6.099493707500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.54587415,"band_gap":2.3005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0054639,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.707000Z","spacegroup":4},{"id":"mp-1101475","created_at":"2022-09-04T14:42:57.553307Z","structure_string":"Na2 Si2 P2 C2 O14\n1.0\n6.036563 0.000000 0.000000\n0.000000 5.008150 0.000000\n0.000000 0.486092 9.536461\nNa Si P C O\n2 2 2 2 14\ndirect\n0.555273 0.775209 0.807055 Na\n0.055273 0.224791 0.192945 Na\n0.235956 0.222035 0.649236 Si\n0.735956 0.777965 0.350764 Si\n0.741551 0.265143 0.557035 P\n0.241551 0.734857 0.442965 P\n0.251022 0.295964 0.881939 C\n0.751022 0.704036 0.118061 C\n0.761581 0.662524 0.992915 O\n0.243072 0.057993 0.823498 O\n0.250140 0.481862 0.774844 O\n0.942263 0.215996 0.653524 O\n0.540554 0.208935 0.653544 O\n0.242845 0.917631 0.566962 O\n0.737891 0.562691 0.502196 O\n0.237891 0.437309 0.497804 O\n0.742845 0.082369 0.433038 O\n0.040554 0.791065 0.346456 O\n0.442263 0.784004 0.346476 O\n0.750140 0.518138 0.225156 O\n0.743072 0.942007 0.176502 O\n0.261581 0.337476 0.007085 O\n","nsites":22,"nelements":5,"elements":["Na","Si","P","C","O"],"chemical_system":"C-Na-O-P-Si","density":2.373608385866963,"density_atomic":0.07630770257632911,"volume":288.30641281584684,"volume_molar":7.891917272671354,"formula_full":"Na2 Si2 P2 C2 O14","formula_reduced":"NaSiPCO7","formula_anonymous":"ABCDE7","energy":-166.854742,"energy_per_atom":-7.584306454545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.236742,"band_gap":5.337000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.955000Z","spacegroup":4},{"id":"mp-1104962","created_at":"2022-09-04T14:42:57.556771Z","structure_string":"Eu4 Cd4 As6\n1.0\n2.235627 8.167008 0.000000\n-2.235627 8.167008 0.000000\n0.000000 7.322901 9.930321\nEu Cd As\n4 4 6\ndirect\n0.269260 0.269260 0.329009 Eu\n0.730740 0.730740 0.670991 Eu\n0.394183 0.394183 0.952371 Eu\n0.605817 0.605817 0.047629 Eu\n0.046504 0.046504 0.685121 Cd\n0.953496 0.953496 0.314879 Cd\n0.408079 0.408079 0.658360 Cd\n0.591921 0.591921 0.341640 Cd\n0.082455 0.082455 0.879902 As\n0.917545 0.917545 0.120098 As\n0.162404 0.162404 0.181002 As\n0.837596 0.837596 0.818998 As\n0.371186 0.371186 0.472315 As\n0.628814 0.628814 0.527685 As\n","nsites":14,"nelements":3,"elements":["Eu","Cd","As"],"chemical_system":"As-Cd-Eu","density":6.901051523706826,"density_atomic":0.03860756627142008,"volume":362.6232200594251,"volume_molar":15.598343386016525,"formula_full":"Eu4 Cd4 As6","formula_reduced":"Eu2Cd2As3","formula_anonymous":"A2B2C3","energy":-83.39656369,"energy_per_atom":-5.956897406428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.39656369,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9551369,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.152000Z","spacegroup":12},{"id":"mp-758539","created_at":"2022-09-04T14:42:57.561531Z","structure_string":"Li2 Co3 O6\n1.0\n4.225958 2.443828 0.000000\n-4.225958 2.443828 0.000000\n0.000000 1.633946 4.780258\nLi Co O\n2 3 6\ndirect\n0.334031 0.665969 0.000000 Li\n0.665969 0.334031 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.164878 0.835122 0.500000 Co\n0.835122 0.164878 0.500000 Co\n0.757812 0.757812 0.709336 O\n0.562725 0.902937 0.294245 O\n0.242188 0.242188 0.290664 O\n0.097063 0.437275 0.705755 O\n0.902937 0.562725 0.294245 O\n0.437274 0.097063 0.705755 O\n","nsites":11,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.8213237503309125,"density_atomic":0.11140778498378028,"volume":98.73636749533685,"volume_molar":5.40549366534552,"formula_full":"Li2 Co3 O6","formula_reduced":"Li2(CoO2)3","formula_anonymous":"A2B3C6","energy":-70.66956109,"energy_per_atom":-6.424505553636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.63356109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9996425,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.468000Z","spacegroup":12},{"id":"mp-1249497","created_at":"2022-09-04T14:42:57.563734Z","structure_string":"Sr4 Nb3 P1 O14\n1.0\n4.027708 -0.005568 -0.583947\n-0.037270 5.784972 -0.185644\n-0.049898 -0.438226 13.316259\nSr Nb P O\n4 3 1 14\ndirect\n0.294485 0.069187 0.613104 Sr\n0.722929 0.558147 0.431159 Sr\n0.443775 0.436685 0.879294 Sr\n0.554317 0.957635 0.107382 Sr\n0.168441 0.018347 0.330656 Nb\n0.054751 0.459537 0.111641 Nb\n0.947632 0.931612 0.881014 Nb\n0.738256 0.561700 0.668611 P\n0.454622 0.897795 0.895253 O\n0.548722 0.434820 0.092677 O\n0.914775 0.610191 0.785666 O\n0.093419 0.171238 0.185733 O\n0.780030 0.778572 0.609144 O\n0.209505 0.294082 0.409640 O\n0.217945 0.815033 0.436315 O\n0.818188 0.348614 0.598889 O\n0.997000 0.190045 0.980908 O\n0.004179 0.678646 0.999724 O\n0.890661 0.109321 0.772081 O\n0.107507 0.694389 0.214599 O\n0.383639 0.516476 0.688398 O\n0.655198 0.988210 0.308066 O\n","nsites":22,"nelements":4,"elements":["Sr","Nb","P","O"],"chemical_system":"Nb-O-P-Sr","density":4.739725185616993,"density_atomic":0.07102212629998411,"volume":309.7626211172014,"volume_molar":8.479245938883343,"formula_full":"Sr4 Nb3 P1 O14","formula_reduced":"Sr4Nb3PO14","formula_anonymous":"AB3C4D14","energy":-182.78737443,"energy_per_atom":-8.308517019545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.16937443,"band_gap":1.9159999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039399,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.487000Z","spacegroup":1},{"id":"mp-1204637","created_at":"2022-09-04T14:42:57.566460Z","structure_string":"Ru2 N12 O24\n1.0\n13.924302 0.000000 0.000000\n0.000000 6.818910 0.000000\n0.000000 2.803249 6.504186\nRu N O\n2 12 24\ndirect\n0.664081 0.243117 0.253198 Ru\n0.164081 0.756883 0.746802 Ru\n0.764496 0.053697 0.448742 N\n0.264496 0.946303 0.551258 N\n0.578703 0.030946 0.539830 N\n0.078703 0.969054 0.460170 N\n0.762111 0.345387 0.104845 N\n0.262111 0.654613 0.895155 N\n0.451778 0.431028 0.661489 N\n0.951778 0.568972 0.338511 N\n0.694405 0.441932 0.568913 N\n0.194405 0.558068 0.431087 N\n0.697297 0.911754 0.080657 N\n0.197297 0.088246 0.919343 N\n0.501097 0.287835 0.794253 O\n0.001097 0.712165 0.205747 O\n0.421502 0.398360 0.509429 O\n0.921502 0.601640 0.490571 O\n0.433495 0.601769 0.680510 O\n0.933495 0.398231 0.319490 O\n0.685072 0.597713 0.613953 O\n0.185072 0.402287 0.386047 O\n0.656878 0.468896 0.383976 O\n0.156878 0.531104 0.616024 O\n0.732408 0.270087 0.676991 O\n0.232408 0.729913 0.323009 O\n0.627962 0.020798 0.134026 O\n0.127962 0.979202 0.865974 O\n0.668822 0.821897 0.971103 O\n0.168822 0.178103 0.028897 O\n0.780497 0.910934 0.142619 O\n0.280497 0.089066 0.857381 O\n0.823138 0.956396 0.558039 O\n0.323138 0.043604 0.441961 O\n0.556946 0.364314 0.137550 O\n0.056946 0.635686 0.862450 O\n0.456959 0.709233 0.105976 O\n0.956959 0.290767 0.894024 O\n","nsites":38,"nelements":3,"elements":["Ru","N","O"],"chemical_system":"N-O-Ru","density":2.0279523010669256,"density_atomic":0.06153217293429528,"volume":617.5631086614934,"volume_molar":9.78697886458602,"formula_full":"Ru2 N12 O24","formula_reduced":"Ru(NO2)6","formula_anonymous":"AB6C12","energy":-239.00298421,"energy_per_atom":-6.289552216052631,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.51498421,"band_gap":0.2387000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999997,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.700000Z","spacegroup":4}]}