{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12157","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12155","results":[{"id":"mp-983607","created_at":"2022-09-04T14:39:26.200046Z","structure_string":"V6 Cd2\n1.0\n2.827841 -4.897964 0.000000\n2.827841 4.897964 0.000000\n0.000000 0.000000 4.485406\nV Cd\n6 2\ndirect\n0.151000 0.302000 0.250000 V\n0.698000 0.849000 0.250000 V\n0.151000 0.849000 0.250000 V\n0.849000 0.698000 0.750000 V\n0.302000 0.151000 0.750000 V\n0.849000 0.151000 0.750000 V\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n","nsites":8,"nelements":2,"elements":["V","Cd"],"chemical_system":"Cd-V","density":7.089382570787456,"density_atomic":0.064385438235118,"volume":124.25169757773784,"volume_molar":9.353265156026104,"formula_full":"V6 Cd2","formula_reduced":"V3Cd","formula_anonymous":"AB3","energy":-53.68694816,"energy_per_atom":-6.71086852,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.68694816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7194568,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.501000Z","spacegroup":194},{"id":"mp-1043147","created_at":"2022-09-04T14:39:26.204971Z","structure_string":"Sr4 Y2 Cr2 Cu4 O14\n1.0\n5.342026 0.028655 -1.241386\n-0.262145 5.420325 -1.270527\n-0.001293 -0.024319 12.271298\nSr Y Cr Cu O\n4 2 2 4 14\ndirect\n0.344328 0.332780 0.707258 Sr\n0.640007 0.666008 0.294506 Sr\n0.847139 0.871465 0.706982 Sr\n0.137441 0.127201 0.294133 Sr\n0.988294 0.999382 0.000824 Y\n0.487999 0.499435 0.000441 Y\n0.281289 0.685485 0.500786 Cr\n0.777139 0.325016 0.500601 Cr\n0.922392 0.436363 0.871202 Cu\n0.053262 0.564190 0.133261 Cu\n0.420960 0.931570 0.868048 Cu\n0.551591 0.066136 0.130221 Cu\n0.109346 0.368741 0.500888 O\n0.653125 0.634554 0.500498 O\n0.185693 0.199629 0.875233 O\n0.311331 0.801026 0.125800 O\n0.686372 0.175913 0.875440 O\n0.811198 0.825419 0.126050 O\n0.659655 0.671272 0.871743 O\n0.788639 0.326671 0.130870 O\n0.159030 0.696052 0.870726 O\n0.287998 0.300245 0.129469 O\n0.289307 0.867886 0.646834 O\n0.631650 0.131357 0.364424 O\n0.765675 0.265574 0.636047 O\n0.147194 0.723269 0.354610 O\n","nsites":26,"nelements":5,"elements":["Sr","Y","Cr","Cu","O"],"chemical_system":"Cr-Cu-O-Sr-Y","density":5.190860204586446,"density_atomic":0.07319153571435291,"volume":355.23233316856584,"volume_molar":8.227919664785848,"formula_full":"Sr4 Y2 Cr2 Cu4 O14","formula_reduced":"Sr2YCrCu2O7","formula_anonymous":"ABC2D2E7","energy":-187.64844226,"energy_per_atom":-7.217247779230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.03244226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0265115,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.628000Z","spacegroup":8},{"id":"mp-20257","created_at":"2022-09-04T14:39:26.209829Z","structure_string":"As2 Pd6 Pb4\n1.0\n3.475008 -6.070481 0.000000\n3.475008 6.070481 0.000000\n0.000000 0.000000 5.901028\nAs Pd Pb\n2 6 4\ndirect\n0.706903 0.706903 0.295250 As\n0.293097 0.293097 0.795250 As\n0.664288 0.423853 0.000042 Pd\n0.335712 0.576147 0.500042 Pd\n0.946754 0.946754 0.979354 Pd\n0.053246 0.053246 0.479354 Pd\n0.423853 0.664288 0.000042 Pd\n0.576147 0.335712 0.500042 Pd\n0.015148 0.656842 0.692656 Pb\n0.984852 0.343158 0.192656 Pb\n0.343158 0.984852 0.192656 Pb\n0.656842 0.015148 0.692656 Pb\n","nsites":12,"nelements":3,"elements":["As","Pd","Pb"],"chemical_system":"As-Pb-Pd","density":10.786147714415653,"density_atomic":0.048199736291410035,"volume":248.9640177168063,"volume_molar":12.494136323881179,"formula_full":"As2 Pd6 Pb4","formula_reduced":"AsPd3Pb2","formula_anonymous":"AB2C3","energy":-59.2549591,"energy_per_atom":-4.937913258333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.2549591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007791,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.751000Z","spacegroup":36},{"id":"mp-699477","created_at":"2022-09-04T14:39:26.167902Z","structure_string":"Na4 H24 Ru4 N4 Cl16 O16\n1.0\n15.321118 0.000000 0.000000\n0.000000 8.324806 0.000000\n0.000000 6.534146 11.902289\nNa H Ru N Cl O\n4 24 4 4 16 16\ndirect\n0.101729 0.905225 0.884833 Na\n0.398271 0.905225 0.384833 Na\n0.898271 0.094775 0.115167 Na\n0.601729 0.094775 0.615167 Na\n0.310981 0.768191 0.719830 H\n0.189019 0.768191 0.219830 H\n0.689019 0.231809 0.280170 H\n0.810981 0.231809 0.780170 H\n0.699512 0.229153 0.902778 H\n0.800488 0.229153 0.402778 H\n0.300488 0.770847 0.097222 H\n0.199512 0.770847 0.597222 H\n0.703640 0.145324 0.895994 H\n0.796360 0.145324 0.395994 H\n0.296360 0.854676 0.104006 H\n0.203640 0.854676 0.604006 H\n0.965463 0.535836 0.793252 H\n0.534537 0.535836 0.293252 H\n0.034537 0.464164 0.206748 H\n0.465463 0.464164 0.706748 H\n0.746166 0.782609 0.784207 H\n0.753834 0.782609 0.284207 H\n0.253834 0.217391 0.215793 H\n0.246166 0.217391 0.715793 H\n0.500921 0.973751 0.983890 H\n0.999079 0.973751 0.483890 H\n0.499079 0.026249 0.016110 H\n0.000921 0.026249 0.516110 H\n0.886476 0.350829 0.701032 Ru\n0.613524 0.350829 0.201032 Ru\n0.113524 0.649171 0.298968 Ru\n0.386476 0.649171 0.798968 Ru\n0.968934 0.182487 0.697052 N\n0.531066 0.182487 0.197052 N\n0.031066 0.817513 0.302948 N\n0.468934 0.817513 0.802948 N\n0.937430 0.265694 0.892021 Cl\n0.562570 0.265694 0.392021 Cl\n0.062570 0.734306 0.107979 Cl\n0.437430 0.734306 0.607979 Cl\n0.765118 0.951861 0.717196 Cl\n0.734882 0.951861 0.217196 Cl\n0.234882 0.048139 0.282804 Cl\n0.265118 0.048139 0.782804 Cl\n0.796830 0.416732 0.550846 Cl\n0.703170 0.416732 0.050846 Cl\n0.203170 0.583268 0.449154 Cl\n0.296830 0.583268 0.949154 Cl\n0.959248 0.667532 0.687092 Cl\n0.540752 0.667532 0.187092 Cl\n0.040752 0.332468 0.312908 Cl\n0.459248 0.332468 0.812908 Cl\n0.149583 0.217953 0.915168 O\n0.350417 0.217953 0.415168 O\n0.850417 0.782047 0.084832 O\n0.649583 0.782047 0.584832 O\n0.013179 0.262776 0.608841 O\n0.486821 0.262776 0.108841 O\n0.986821 0.737224 0.391159 O\n0.513179 0.737224 0.891159 O\n0.125692 0.296664 0.968327 O\n0.374308 0.296664 0.468327 O\n0.874308 0.703336 0.031673 O\n0.625692 0.703336 0.531673 O\n0.515061 0.020854 0.272730 O\n0.984939 0.020854 0.772730 O\n0.484939 0.979146 0.727270 O\n0.015061 0.979146 0.227270 O\n","nsites":68,"nelements":6,"elements":["Na","H","Ru","N","Cl","O"],"chemical_system":"Cl-H-N-Na-O-Ru","density":1.531042999115876,"density_atomic":0.04479338082909026,"volume":1518.0814384039218,"volume_molar":13.444264863546598,"formula_full":"Na4 H24 Ru4 N4 Cl16 O16","formula_reduced":"NaH6RuN(ClO)4","formula_anonymous":"ABCD4E4F6","energy":-297.84346089,"energy_per_atom":-4.380050895441177,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-285.44346089,"band_gap":0.3978000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0128964,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.350000Z","spacegroup":14},{"id":"mp-1245294","created_at":"2022-09-04T14:39:26.170314Z","structure_string":"Ti50 O50\n1.0\n10.637669 0.376976 0.772217\n0.378554 10.318217 0.201415\n0.769711 0.205628 10.827619\nTi O\n50 50\ndirect\n0.329954 0.274080 0.166138 Ti\n0.353617 0.776713 0.461584 Ti\n0.602693 0.890424 0.335946 Ti\n0.939743 0.979128 0.853663 Ti\n0.350821 0.010786 0.311840 Ti\n0.519643 0.307108 0.926780 Ti\n0.363183 0.759840 0.184367 Ti\n0.101763 0.063182 0.398901 Ti\n0.041074 0.853627 0.055725 Ti\n0.168286 0.063214 0.134205 Ti\n0.067955 0.296979 0.683696 Ti\n0.321359 0.810957 0.935368 Ti\n0.124597 0.823486 0.313275 Ti\n0.555804 0.807148 0.612833 Ti\n0.415570 0.435582 0.460308 Ti\n0.075778 0.473337 0.865976 Ti\n0.867421 0.725187 0.228415 Ti\n0.604000 0.839587 0.864903 Ti\n0.347789 0.664814 0.707871 Ti\n0.261438 0.204663 0.925173 Ti\n0.153600 0.320020 0.424882 Ti\n0.483583 0.471715 0.186202 Ti\n0.846220 0.494747 0.741642 Ti\n0.095271 0.551953 0.591988 Ti\n0.105949 0.770090 0.795743 Ti\n0.854804 0.714716 0.970949 Ti\n0.853642 0.767666 0.727479 Ti\n0.027408 0.479278 0.121735 Ti\n0.687219 0.019526 0.565239 Ti\n0.486397 0.087996 0.472808 Ti\n0.459362 0.017562 0.041781 Ti\n0.619450 0.158516 0.220245 Ti\n0.596991 0.648506 0.047499 Ti\n0.924337 0.038143 0.583624 Ti\n0.279021 0.528015 0.025687 Ti\n0.170012 0.008651 0.654372 Ti\n0.924593 0.505446 0.416405 Ti\n0.731967 0.476325 0.242159 Ti\n0.854547 0.777256 0.474713 Ti\n0.186471 0.540089 0.282117 Ti\n0.604582 0.315879 0.624697 Ti\n0.771131 0.970671 0.066718 Ti\n0.622941 0.570075 0.495299 Ti\n0.933548 0.218159 0.033284 Ti\n0.389313 0.014991 0.786979 Ti\n0.858849 0.986453 0.312565 Ti\n0.820689 0.227878 0.784953 Ti\n0.581686 0.532974 0.803424 Ti\n0.307970 0.239680 0.661733 Ti\n0.910538 0.249834 0.295621 Ti\n0.275370 0.679598 0.342466 O\n0.978360 0.204177 0.456849 O\n0.549629 0.511181 0.344410 O\n0.631290 0.341677 0.189301 O\n0.179950 0.181252 0.552734 O\n0.466387 0.271150 0.529897 O\n0.219045 0.169291 0.288196 O\n0.980015 0.917591 0.433359 O\n0.318603 0.398067 0.321854 O\n0.813048 0.122744 0.942547 O\n0.484153 0.812029 0.031825 O\n0.779389 0.885111 0.879209 O\n0.049161 0.396017 0.296794 O\n0.423034 0.575059 0.561825 O\n0.791035 0.384190 0.393442 O\n0.285018 0.006152 0.967887 O\n0.915937 0.619828 0.586409 O\n0.749967 0.177419 0.638324 O\n0.577119 0.956280 0.720420 O\n0.597878 0.977724 0.154406 O\n0.005002 0.890558 0.683259 O\n0.359559 0.045655 0.611110 O\n0.193435 0.326542 0.803169 O\n0.237879 0.637409 0.879291 O\n0.478313 0.374548 0.754050 O\n0.774423 0.637010 0.384990 O\n0.996172 0.125329 0.729029 O\n0.996632 0.664491 0.078782 O\n0.336794 0.349025 0.988624 O\n0.459280 0.141632 0.885111 O\n0.544181 0.747505 0.443344 O\n0.972883 0.630352 0.815290 O\n0.028870 0.043249 0.014884 O\n0.224231 0.407553 0.569840 O\n0.723571 0.646743 0.857804 O\n0.689352 0.359498 0.849980 O\n0.669983 0.072146 0.382884 O\n0.267293 0.864099 0.762500 O\n0.201053 0.814083 0.121713 O\n0.198017 0.692638 0.616711 O\n0.512152 0.499755 0.992940 O\n0.696503 0.480420 0.637196 O\n0.940685 0.349499 0.856274 O\n0.500895 0.196800 0.095442 O\n0.820830 0.126910 0.184193 O\n0.484932 0.722006 0.796194 O\n0.016474 0.667521 0.338019 O\n0.751100 0.631236 0.124223 O\n0.227626 0.923127 0.446739 O\n0.878136 0.368436 0.138976 O\n","nsites":100,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.4920109044322345,"density_atomic":0.08471284422260925,"volume":1180.4585351569476,"volume_molar":7.108887460058547,"formula_full":"Ti50 O50","formula_reduced":"TiO","formula_anonymous":"AB","energy":-901.42502567,"energy_per_atom":-9.0142502567,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-867.07502567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2685003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.858000Z","spacegroup":1},{"id":"mp-776027","created_at":"2022-09-04T14:39:26.174117Z","structure_string":"Li8 Fe8 F24\n1.0\n8.732069 0.000000 0.000000\n0.000000 8.732069 0.000000\n0.000000 0.000000 6.210444\nLi Fe F\n8 8 24\ndirect\n0.957617 0.849506 0.163961 Li\n0.849506 0.042383 0.836039 Li\n0.150494 0.957617 0.836039 Li\n0.042383 0.150494 0.163961 Li\n0.457617 0.349506 0.336039 Li\n0.349506 0.542383 0.663961 Li\n0.650494 0.457617 0.663961 Li\n0.542383 0.650494 0.336039 Li\n0.518412 0.807434 0.896792 Fe\n0.307434 0.981588 0.396792 Fe\n0.692566 0.018412 0.396792 Fe\n0.481588 0.192566 0.896792 Fe\n0.018412 0.307434 0.603208 Fe\n0.807434 0.481588 0.103208 Fe\n0.192566 0.518412 0.103208 Fe\n0.981588 0.692566 0.603208 Fe\n0.827294 0.832162 0.439155 F\n0.953481 0.841043 0.857234 F\n0.484525 0.859262 0.267860 F\n0.167838 0.827294 0.560845 F\n0.640738 0.984525 0.767860 F\n0.158957 0.953481 0.142766 F\n0.841043 0.046519 0.142766 F\n0.359262 0.015475 0.767860 F\n0.832162 0.172706 0.560845 F\n0.515475 0.140738 0.267860 F\n0.046519 0.158957 0.857234 F\n0.172706 0.167838 0.439155 F\n0.327294 0.332162 0.060845 F\n0.453481 0.341043 0.642766 F\n0.984525 0.359262 0.232140 F\n0.667838 0.327294 0.939155 F\n0.140738 0.484525 0.732140 F\n0.658957 0.453481 0.357234 F\n0.341043 0.546519 0.357234 F\n0.859262 0.515475 0.732140 F\n0.332162 0.672706 0.939155 F\n0.015475 0.640738 0.232140 F\n0.546519 0.658957 0.642766 F\n0.672706 0.667838 0.060845 F\n","nsites":40,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.360243976257419,"density_atomic":0.08447010297998092,"volume":473.5403247878109,"volume_molar":7.1293162285207865,"formula_full":"Li8 Fe8 F24","formula_reduced":"LiFeF3","formula_anonymous":"ABC3","energy":-238.07036082,"energy_per_atom":-5.9517590205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.93436082,"band_gap":3.0149,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9999475,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.915000Z","spacegroup":86},{"id":"mp-1223356","created_at":"2022-09-04T14:39:26.178660Z","structure_string":"La6 Mg4 Nb2 O18\n1.0\n-2.826628 4.006731 8.539166\n2.826628 -4.006731 8.539166\n2.826628 4.006731 -8.539166\nLa Mg Nb O\n6 4 2 18\ndirect\n0.721087 0.500000 0.221087 La\n0.413637 0.147528 0.266109 La\n0.118581 0.852472 0.266109 La\n0.278913 0.500000 0.778913 La\n0.881419 0.147528 0.733891 La\n0.586363 0.852472 0.733891 La\n0.000000 0.000000 0.000000 Mg\n0.667652 0.667652 0.000000 Mg\n0.332348 0.332348 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.168913 0.668913 0.500000 Nb\n0.831087 0.331087 0.500000 Nb\n0.750558 0.000000 0.750558 O\n0.403049 0.655548 0.747501 O\n0.091953 0.344452 0.747501 O\n0.582372 0.832288 0.249916 O\n0.254181 0.517022 0.262842 O\n0.911422 0.150430 0.239007 O\n0.417628 0.667544 0.249916 O\n0.088578 0.327585 0.239007 O\n0.745819 0.008661 0.262842 O\n0.249442 0.000000 0.249442 O\n0.908047 0.655548 0.252499 O\n0.596951 0.344452 0.252499 O\n0.417628 0.167712 0.750084 O\n0.088578 0.849570 0.760993 O\n0.745819 0.482978 0.737158 O\n0.582372 0.332456 0.750084 O\n0.254181 0.991339 0.737158 O\n0.911422 0.672415 0.760993 O\n","nsites":30,"nelements":4,"elements":["La","Mg","Nb","O"],"chemical_system":"La-Mg-Nb-O","density":6.028684654313292,"density_atomic":0.07755092178576163,"volume":386.8425972147246,"volume_molar":7.765401907970185,"formula_full":"La6 Mg4 Nb2 O18","formula_reduced":"La3Mg2NbO9","formula_anonymous":"AB2C3D9","energy":-247.80810868,"energy_per_atom":-8.260270289333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.44210868,"band_gap":3.086899999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004893,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.860000Z","spacegroup":71},{"id":"mp-1099292","created_at":"2022-09-04T14:39:26.187636Z","structure_string":"Mg6 Ni1 Sb1\n1.0\n3.081887 -5.324575 0.000000\n3.081887 5.324575 0.000000\n0.000000 0.000000 5.032967\nMg Ni Sb\n6 1 1\ndirect\n0.827504 0.662601 0.500000 Mg\n0.337399 0.172496 0.500000 Mg\n0.832770 0.167230 0.500000 Mg\n0.657101 0.829695 0.000000 Mg\n0.170305 0.342899 0.000000 Mg\n0.668067 0.331933 0.000000 Mg\n0.335515 0.664485 0.500000 Ni\n0.171340 0.828660 0.000000 Sb\n","nsites":8,"nelements":3,"elements":["Mg","Ni","Sb"],"chemical_system":"Mg-Ni-Sb","density":3.28010947351475,"density_atomic":0.04843220578072101,"volume":165.17934442673044,"volume_molar":12.434165784778653,"formula_full":"Mg6 Ni1 Sb1","formula_reduced":"Mg6NiSb","formula_anonymous":"ABC6","energy":-19.87480455,"energy_per_atom":-2.48435056875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.68280455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056419,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.547000Z","spacegroup":38},{"id":"mp-773050","created_at":"2022-09-04T14:39:26.190296Z","structure_string":"Li16 Cr8 O32\n1.0\n9.795133 0.000000 0.000000\n0.000000 7.744988 0.000000\n0.000000 0.530387 9.754506\nLi Cr O\n16 8 32\ndirect\n0.617244 0.472194 0.598167 Li\n0.382756 0.472194 0.098167 Li\n0.594345 0.538594 0.849356 Li\n0.405655 0.538594 0.349356 Li\n0.109498 0.499001 0.084427 Li\n0.890502 0.499001 0.584427 Li\n0.620958 0.199612 0.064910 Li\n0.379042 0.199612 0.564910 Li\n0.871951 0.150584 0.411060 Li\n0.128049 0.150584 0.911060 Li\n0.104270 0.122326 0.638931 Li\n0.895730 0.122326 0.138931 Li\n0.595212 0.902965 0.649864 Li\n0.404788 0.902965 0.149864 Li\n0.158349 0.914557 0.423563 Li\n0.841651 0.914557 0.923563 Li\n0.120589 0.843935 0.131368 Cr\n0.879411 0.843935 0.631368 Cr\n0.635178 0.625297 0.129049 Cr\n0.364822 0.625297 0.629049 Cr\n0.126093 0.329709 0.366640 Cr\n0.873907 0.329709 0.866640 Cr\n0.614701 0.191199 0.381355 Cr\n0.385299 0.191199 0.881355 Cr\n0.974569 0.985256 0.528132 O\n0.025431 0.985256 0.028132 O\n0.228012 0.951327 0.229155 O\n0.771988 0.951327 0.729155 O\n0.212392 0.711701 0.040010 O\n0.787608 0.711701 0.540010 O\n0.018440 0.730907 0.231123 O\n0.981560 0.730907 0.731123 O\n0.487539 0.688151 0.206010 O\n0.512461 0.688151 0.706010 O\n0.698517 0.779446 0.024213 O\n0.301483 0.779446 0.524213 O\n0.746392 0.558620 0.240051 O\n0.253608 0.558620 0.740051 O\n0.417857 0.456358 0.535508 O\n0.582143 0.456358 0.035508 O\n0.951342 0.453929 0.972845 O\n0.048658 0.453929 0.472845 O\n0.231355 0.444096 0.261204 O\n0.768645 0.444096 0.761204 O\n0.208053 0.176784 0.464779 O\n0.791947 0.176784 0.964779 O\n0.006422 0.235690 0.274448 O\n0.993578 0.235690 0.774448 O\n0.499302 0.303419 0.292432 O\n0.500698 0.303419 0.792432 O\n0.717694 0.312008 0.474821 O\n0.282306 0.312008 0.974821 O\n0.718180 0.093295 0.271954 O\n0.281820 0.093295 0.771954 O\n0.465558 0.054644 0.993164 O\n0.534442 0.054644 0.493164 O\n","nsites":56,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":2.331474227617701,"density_atomic":0.07567486594732281,"volume":740.0079180712595,"volume_molar":7.957914010963701,"formula_full":"Li16 Cr8 O32","formula_reduced":"Li2CrO4","formula_anonymous":"AB2C4","energy":-378.13698115,"energy_per_atom":-6.752446091964286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.16098115,"band_gap":2.2168,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001843,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.500000Z","spacegroup":7},{"id":"mp-1203607","created_at":"2022-09-04T14:39:26.191175Z","structure_string":"Cu8 H40 C24 N8 O32\n1.0\n13.282360 0.000000 0.000000\n0.000000 9.511734 0.000000\n0.000000 1.978405 9.783416\nCu H C N O\n8 40 24 8 32\ndirect\n0.652052 0.822320 0.186693 Cu\n0.152052 0.677680 0.813307 Cu\n0.347948 0.177680 0.813307 Cu\n0.847948 0.322320 0.186693 Cu\n0.596516 0.258226 0.502443 Cu\n0.096516 0.241774 0.497557 Cu\n0.403484 0.741774 0.497557 Cu\n0.903484 0.758226 0.502443 Cu\n0.480790 0.858275 0.064937 H\n0.980790 0.641725 0.935063 H\n0.519210 0.141725 0.935063 H\n0.019210 0.358275 0.064937 H\n0.486583 0.700171 0.165580 H\n0.986583 0.799829 0.834420 H\n0.513417 0.299829 0.834420 H\n0.013417 0.200171 0.165580 H\n0.777819 0.260676 0.577617 H\n0.277819 0.239324 0.422383 H\n0.222181 0.739324 0.422383 H\n0.722181 0.760676 0.577617 H\n0.754543 0.108448 0.533986 H\n0.254543 0.391552 0.466014 H\n0.245457 0.891552 0.466014 H\n0.745457 0.608448 0.533986 H\n0.464171 0.680236 0.930357 H\n0.964171 0.819764 0.069643 H\n0.535829 0.319764 0.069643 H\n0.035829 0.180236 0.930357 H\n0.577549 0.778940 0.890675 H\n0.077549 0.721060 0.109325 H\n0.422451 0.221060 0.109325 H\n0.922451 0.278940 0.890675 H\n0.581929 0.605328 0.997260 H\n0.081929 0.894672 0.002740 H\n0.418071 0.394672 0.002740 H\n0.918071 0.105328 0.997260 H\n0.799933 0.068059 0.771744 H\n0.299933 0.431941 0.228256 H\n0.200067 0.931941 0.228256 H\n0.700067 0.568059 0.771744 H\n0.699650 0.183719 0.799453 H\n0.199650 0.316281 0.200547 H\n0.300350 0.816281 0.200547 H\n0.800350 0.683719 0.799453 H\n0.672571 0.017082 0.751799 H\n0.172571 0.482918 0.248201 H\n0.327429 0.982918 0.248201 H\n0.827429 0.517082 0.751799 H\n0.708925 0.105238 0.119022 C\n0.208925 0.394762 0.880978 C\n0.291075 0.894762 0.880978 C\n0.791075 0.605238 0.119022 C\n0.770501 0.039869 0.247682 C\n0.270501 0.460131 0.752318 C\n0.229499 0.960131 0.752318 C\n0.729499 0.539869 0.247682 C\n0.470307 0.489802 0.437020 C\n0.970307 0.010198 0.562980 C\n0.529693 0.510198 0.562980 C\n0.029693 0.989802 0.437020 C\n0.531120 0.000221 0.433548 C\n0.031120 0.499779 0.566452 C\n0.468880 0.999779 0.566452 C\n0.968880 0.500221 0.433548 C\n0.537778 0.704097 0.970607 C\n0.037778 0.795903 0.029393 C\n0.462222 0.295903 0.029393 C\n0.962222 0.204097 0.970607 C\n0.724910 0.107778 0.737190 C\n0.224910 0.392222 0.262810 C\n0.275090 0.892222 0.262810 C\n0.775090 0.607778 0.737190 C\n0.525555 0.769246 0.092171 N\n0.025555 0.730754 0.907829 N\n0.474445 0.230754 0.907829 N\n0.974445 0.269246 0.092171 N\n0.727172 0.178132 0.591357 N\n0.227172 0.321868 0.408643 N\n0.272828 0.821868 0.408643 N\n0.772828 0.678132 0.591357 N\n0.644622 0.020754 0.079578 O\n0.144622 0.479246 0.920422 O\n0.355378 0.979246 0.920422 O\n0.855378 0.520754 0.079578 O\n0.724700 0.232054 0.061408 O\n0.224700 0.267946 0.938592 O\n0.275300 0.767946 0.938592 O\n0.775300 0.732054 0.061408 O\n0.757301 0.907720 0.297775 O\n0.257301 0.592280 0.702225 O\n0.242699 0.092280 0.702225 O\n0.742699 0.407720 0.297775 O\n0.831096 0.120565 0.296160 O\n0.331096 0.379435 0.703840 O\n0.168904 0.879435 0.703840 O\n0.668904 0.620565 0.296160 O\n0.488626 0.380069 0.387968 O\n0.988626 0.119931 0.612032 O\n0.511374 0.619931 0.612032 O\n0.011374 0.880069 0.387968 O\n0.405608 0.585735 0.389805 O\n0.905608 0.914265 0.610195 O\n0.594392 0.414265 0.610195 O\n0.094392 0.085735 0.389805 O\n0.588887 0.108015 0.392858 O\n0.088887 0.391985 0.607142 O\n0.411113 0.891985 0.607142 O\n0.911113 0.608015 0.392858 O\n0.521317 0.895989 0.374604 O\n0.021317 0.604011 0.625396 O\n0.478683 0.104011 0.625396 O\n0.978683 0.395989 0.374604 O\n","nsites":112,"nelements":5,"elements":["Cu","H","C","N","O"],"chemical_system":"C-Cu-H-N-O","density":1.9627588889668561,"density_atomic":0.09061342759686865,"volume":1236.0199031238326,"volume_molar":6.6459694989047176,"formula_full":"Cu8 H40 C24 N8 O32","formula_reduced":"CuH5C3NO4","formula_anonymous":"ABC3D4E5","energy":-708.87599675,"energy_per_atom":-6.329249970982143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-684.00399675,"band_gap":0.2597,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9980501,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.624000Z","spacegroup":14},{"id":"mp-865796","created_at":"2022-09-04T14:39:26.193590Z","structure_string":"Lu1 Cd1 Rh2\n1.0\n0.000000 3.287444 3.287444\n3.287444 0.000000 3.287444\n3.287444 3.287444 0.000000\nLu Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Lu","Cd","Rh"],"chemical_system":"Cd-Lu-Rh","density":11.52543677611822,"density_atomic":0.05629306623647353,"volume":71.05670853310724,"volume_molar":10.697837518216623,"formula_full":"Lu1 Cd1 Rh2","formula_reduced":"LuCdRh2","formula_anonymous":"ABC2","energy":-22.70755388,"energy_per_atom":-5.67688847,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.70755388,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012058,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.733000Z","spacegroup":225},{"id":"mp-13956","created_at":"2022-09-04T14:39:26.200267Z","structure_string":"Ag16 P8 Se24\n1.0\n6.631262 0.000000 0.000000\n0.000000 11.755565 0.000000\n0.000000 0.000000 14.701324\nAg P Se\n16 8 24\ndirect\n0.780082 0.286746 0.628895 Ag\n0.280082 0.213254 0.371105 Ag\n0.219918 0.786746 0.871105 Ag\n0.719918 0.713254 0.128895 Ag\n0.464260 0.304641 0.107114 Ag\n0.964260 0.195359 0.892886 Ag\n0.535740 0.804641 0.392886 Ag\n0.035740 0.695359 0.607114 Ag\n0.575378 0.615912 0.875272 Ag\n0.075378 0.884088 0.124728 Ag\n0.424622 0.115912 0.624728 Ag\n0.924622 0.384088 0.375272 Ag\n0.583330 0.361000 0.887781 Ag\n0.083330 0.139000 0.112219 Ag\n0.416670 0.861000 0.612219 Ag\n0.916670 0.639000 0.387781 Ag\n0.107513 0.469265 0.800645 P\n0.607513 0.030735 0.199355 P\n0.892487 0.969265 0.699355 P\n0.392487 0.530735 0.300645 P\n0.062641 0.505016 0.955686 P\n0.562641 0.994984 0.044314 P\n0.937359 0.005016 0.544314 P\n0.437359 0.494984 0.455686 P\n0.259416 0.301145 0.790085 Se\n0.759416 0.198855 0.209915 Se\n0.740584 0.801145 0.709915 Se\n0.240584 0.698855 0.290085 Se\n0.802810 0.470334 0.738951 Se\n0.302810 0.029666 0.261049 Se\n0.197190 0.970334 0.761049 Se\n0.697190 0.529666 0.238951 Se\n0.135628 0.486469 0.519097 Se\n0.635628 0.013531 0.480903 Se\n0.864372 0.986469 0.980903 Se\n0.364372 0.513531 0.019097 Se\n0.619041 0.637203 0.513909 Se\n0.119041 0.862797 0.486091 Se\n0.380959 0.137203 0.986091 Se\n0.880959 0.362797 0.013909 Se\n0.590885 0.323615 0.463002 Se\n0.090885 0.176385 0.536998 Se\n0.409115 0.823615 0.036998 Se\n0.909115 0.676385 0.963002 Se\n0.207639 0.384452 0.246113 Se\n0.707639 0.115548 0.753887 Se\n0.792361 0.884452 0.253887 Se\n0.292361 0.615548 0.746113 Se\n","nsites":48,"nelements":3,"elements":["Ag","P","Se"],"chemical_system":"Ag-P-Se","density":5.605577976817469,"density_atomic":0.041883705189043996,"volume":1146.0304140560113,"volume_molar":14.37824264309663,"formula_full":"Ag16 P8 Se24","formula_reduced":"Ag2PSe3","formula_anonymous":"AB2C3","energy":-188.8581404,"energy_per_atom":-3.9345445916666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.5301404,"band_gap":0.8588,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001889,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.986000Z","spacegroup":19}]}