{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10257","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10255","results":[{"id":"mp-1203769","created_at":"2022-09-04T14:44:12.421921Z","structure_string":"Cs4 Co6 N48\n1.0\n5.721770 0.000000 0.000000\n0.000000 11.276135 0.000000\n0.000000 6.750043 14.748597\nCs Co N\n4 6 48\ndirect\n0.666843 0.050983 0.345975 Cs\n0.833157 0.050983 0.845975 Cs\n0.333157 0.949017 0.654025 Cs\n0.166843 0.949017 0.154025 Cs\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.999536 0.497205 0.393288 Co\n0.500464 0.497205 0.893288 Co\n0.000464 0.502795 0.606712 Co\n0.499536 0.502795 0.106712 Co\n0.309536 0.396043 0.440480 N\n0.190464 0.396043 0.940480 N\n0.690464 0.603957 0.559520 N\n0.809536 0.603957 0.059520 N\n0.167939 0.608197 0.472083 N\n0.332061 0.608197 0.972083 N\n0.832061 0.391803 0.527917 N\n0.667939 0.391803 0.027917 N\n0.688409 0.602276 0.379856 N\n0.811591 0.602276 0.879856 N\n0.311591 0.397724 0.620144 N\n0.188409 0.397724 0.120144 N\n0.128178 0.627691 0.274238 N\n0.371822 0.627691 0.774238 N\n0.871822 0.372309 0.725762 N\n0.628178 0.372309 0.225762 N\n0.343624 0.287374 0.446241 N\n0.156376 0.287374 0.946241 N\n0.656376 0.712626 0.553759 N\n0.843624 0.712626 0.053759 N\n0.158705 0.726307 0.434437 N\n0.341295 0.726307 0.934437 N\n0.841295 0.273693 0.565563 N\n0.658705 0.273693 0.065563 N\n0.662123 0.713680 0.326118 N\n0.837877 0.713680 0.826118 N\n0.337877 0.286320 0.673882 N\n0.162123 0.286320 0.173882 N\n0.251315 0.624016 0.216179 N\n0.248685 0.624016 0.716179 N\n0.748685 0.375984 0.783821 N\n0.751315 0.375984 0.283821 N\n0.374380 0.181928 0.451702 N\n0.125620 0.181928 0.951702 N\n0.625620 0.818072 0.548298 N\n0.874380 0.818072 0.048298 N\n0.148453 0.839597 0.397316 N\n0.351547 0.839597 0.897316 N\n0.851547 0.160403 0.602684 N\n0.648453 0.160403 0.102684 N\n0.637857 0.821581 0.272916 N\n0.862143 0.821581 0.772916 N\n0.362143 0.178419 0.727084 N\n0.137857 0.178419 0.227084 N\n0.375151 0.630600 0.156088 N\n0.124849 0.630600 0.656088 N\n0.624849 0.369400 0.843912 N\n0.875151 0.369400 0.343912 N\n","nsites":58,"nelements":3,"elements":["Cs","Co","N"],"chemical_system":"Co-Cs-N","density":2.7179887395039968,"density_atomic":0.06095181209411463,"volume":951.5713808548171,"volume_molar":9.880166894302203,"formula_full":"Cs4 Co6 N48","formula_reduced":"Cs2(CoN8)3","formula_anonymous":"A2B3C24","energy":-442.08976441,"energy_per_atom":-7.622237317413793,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-424.76176441,"band_gap":0.0702,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.1451403,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.178000Z","spacegroup":14},{"id":"mp-759900","created_at":"2022-09-04T14:46:08.635546Z","structure_string":"K8 Li4 Nb4 O16\n1.0\n8.275005 0.000000 0.000000\n0.000000 5.929293 0.000000\n0.000000 3.178011 12.055388\nK Li Nb O\n8 4 4 16\ndirect\n0.509382 0.629135 0.658764 K\n0.243177 0.175170 0.138042 K\n0.009382 0.370865 0.841236 K\n0.256823 0.175170 0.638042 K\n0.743177 0.824830 0.361958 K\n0.990618 0.629135 0.158764 K\n0.756823 0.824830 0.861958 K\n0.490618 0.370865 0.341236 K\n0.474740 0.362564 0.909945 Li\n0.974740 0.637436 0.590055 Li\n0.025260 0.362564 0.409945 Li\n0.525260 0.637436 0.090055 Li\n0.220493 0.849325 0.432491 Nb\n0.720493 0.150675 0.067509 Nb\n0.279507 0.849325 0.932491 Nb\n0.779507 0.150675 0.567509 Nb\n0.799247 0.823530 0.617839 O\n0.197379 0.756885 0.588140 O\n0.552296 0.306928 0.121409 O\n0.926918 0.234337 0.100284 O\n0.697379 0.243115 0.911860 O\n0.299247 0.176470 0.882161 O\n0.426918 0.765663 0.399716 O\n0.052296 0.693072 0.378591 O\n0.947704 0.306928 0.621409 O\n0.573082 0.234337 0.600284 O\n0.700753 0.823530 0.117839 O\n0.302621 0.756885 0.088140 O\n0.073082 0.765663 0.899716 O\n0.447704 0.693072 0.878591 O\n0.802621 0.243115 0.411860 O\n0.200753 0.176470 0.382161 O\n","nsites":32,"nelements":4,"elements":["K","Li","Nb","O"],"chemical_system":"K-Li-Nb-O","density":2.7179827665673115,"density_atomic":0.054100042841164826,"volume":591.4967589572987,"volume_molar":11.13148981726451,"formula_full":"K8 Li4 Nb4 O16","formula_reduced":"K2LiNbO4","formula_anonymous":"ABC2D4","energy":-217.7729688,"energy_per_atom":-6.805405275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.7809688,"band_gap":4.1581,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.389000Z","spacegroup":14},{"id":"mp-1199536","created_at":"2022-09-04T14:43:07.867890Z","structure_string":"Sn4 Mo4 H24 C8 O16\n1.0\n7.380515 0.000000 0.000000\n0.000000 7.443991 0.000000\n0.000000 0.000000 13.731880\nSn Mo H C O\n4 4 24 8 16\ndirect\n0.725916 0.750000 0.372653 Sn\n0.774084 0.750000 0.872653 Sn\n0.274084 0.250000 0.627347 Sn\n0.225916 0.250000 0.127347 Sn\n0.565297 0.250000 0.385501 Mo\n0.934703 0.250000 0.885501 Mo\n0.434703 0.750000 0.614499 Mo\n0.065297 0.750000 0.114499 Mo\n0.966464 0.750000 0.518422 H\n0.533536 0.750000 0.018422 H\n0.033536 0.250000 0.481578 H\n0.466464 0.250000 0.981578 H\n0.059175 0.870691 0.416412 H\n0.440825 0.629309 0.916412 H\n0.940825 0.370691 0.583588 H\n0.559175 0.129309 0.083588 H\n0.940825 0.129309 0.583588 H\n0.559175 0.370691 0.083588 H\n0.059175 0.629309 0.416412 H\n0.440825 0.870691 0.916412 H\n0.384312 0.750000 0.311651 H\n0.115688 0.750000 0.811651 H\n0.615688 0.250000 0.688349 H\n0.884312 0.250000 0.188349 H\n0.521213 0.629154 0.225312 H\n0.978787 0.870846 0.725312 H\n0.478787 0.129154 0.774688 H\n0.021213 0.370846 0.274688 H\n0.478787 0.370846 0.774688 H\n0.021213 0.129154 0.274688 H\n0.521213 0.870846 0.225312 H\n0.978787 0.629154 0.725312 H\n0.986176 0.750000 0.439428 C\n0.513824 0.750000 0.939428 C\n0.013824 0.250000 0.560572 C\n0.486176 0.250000 0.060572 C\n0.511094 0.750000 0.270145 C\n0.988906 0.750000 0.770145 C\n0.488906 0.250000 0.729855 C\n0.011094 0.250000 0.229855 C\n0.705766 0.448146 0.382357 O\n0.794234 0.051854 0.882357 O\n0.294234 0.948146 0.617643 O\n0.205766 0.551854 0.117643 O\n0.294234 0.551854 0.617643 O\n0.205766 0.948146 0.117643 O\n0.705766 0.051854 0.382357 O\n0.794234 0.448146 0.882357 O\n0.432571 0.250000 0.496491 O\n0.067429 0.250000 0.996491 O\n0.567429 0.750000 0.503509 O\n0.932571 0.750000 0.003509 O\n0.419582 0.250000 0.283318 O\n0.080418 0.250000 0.783318 O\n0.580418 0.750000 0.716682 O\n0.919582 0.750000 0.216682 O\n","nsites":56,"nelements":5,"elements":["Sn","Mo","H","C","O"],"chemical_system":"C-H-Mo-O-Sn","density":2.71798228279701,"density_atomic":0.07422761744940165,"volume":754.436177857564,"volume_molar":8.113072959811866,"formula_full":"Sn4 Mo4 H24 C8 O16","formula_reduced":"SnMoH6(CO2)2","formula_anonymous":"ABC2D4E6","energy":-342.19339189,"energy_per_atom":-6.11059628375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-318.39339189,"band_gap":4.109,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003577,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.442000Z","spacegroup":62},{"id":"mp-1176385","created_at":"2022-09-04T14:46:23.338364Z","structure_string":"Na8 Mn4 P4 C4 O28\n1.0\n6.780108 0.000000 0.000000\n-0.071038 10.223591 0.000000\n-0.030533 -5.086567 9.021836\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.982991 0.744337 0.749215 Na\n0.519125 0.743583 0.750668 Na\n0.992853 0.757670 0.255920 Na\n0.508591 0.758919 0.255741 Na\n0.491165 0.247282 0.740164 Na\n0.004146 0.245805 0.736475 Na\n0.012933 0.250601 0.259704 Na\n0.264206 0.087581 0.938815 Na\n0.248573 0.647079 0.931631 Mn\n0.251368 0.643963 0.434818 Mn\n0.742191 0.350329 0.562279 Mn\n0.744071 0.349305 0.070470 Mn\n0.749531 0.577669 0.935768 P\n0.751862 0.579385 0.433083 P\n0.247638 0.421123 0.566253 P\n0.248372 0.419213 0.058349 P\n0.247390 0.926707 0.098488 C\n0.251122 0.926858 0.605610 C\n0.750750 0.073608 0.400177 C\n0.753057 0.073248 0.900170 C\n0.753582 0.933457 0.328333 O\n0.753889 0.932707 0.821241 O\n0.252973 0.849831 0.949431 O\n0.252355 0.852468 0.459358 O\n0.250333 0.838878 0.156232 O\n0.254215 0.841132 0.666202 O\n0.934694 0.671673 0.947465 O\n0.562981 0.667791 0.945661 O\n0.938569 0.675544 0.450337 O\n0.564087 0.668856 0.442819 O\n0.749538 0.546814 0.567826 O\n0.246144 0.578266 0.709737 O\n0.750606 0.544465 0.070422 O\n0.252137 0.571007 0.205013 O\n0.750001 0.424434 0.789460 O\n0.238303 0.454913 0.925192 O\n0.760661 0.427288 0.287926 O\n0.243862 0.455667 0.432510 O\n0.432123 0.334637 0.563210 O\n0.061118 0.329702 0.554441 O\n0.433041 0.322759 0.032553 O\n0.067941 0.320295 0.045449 O\n0.755631 0.163536 0.345615 O\n0.748124 0.167294 0.848180 O\n0.742039 0.148443 0.548186 O\n0.755026 0.142639 0.046046 O\n0.238990 0.066166 0.164091 O\n0.247199 0.068348 0.681329 O\n","nsites":48,"nelements":5,"elements":["Na","Mn","P","C","O"],"chemical_system":"C-Mn-Na-O-P","density":2.717945295457386,"density_atomic":0.0767549212478671,"volume":625.3670672788794,"volume_molar":7.845934387128755,"formula_full":"Na8 Mn4 P4 C4 O28","formula_reduced":"Na2MnPCO7","formula_anonymous":"ABCD2E7","energy":-354.91103366000004,"energy_per_atom":-7.393979867916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.00303366,"band_gap":0.5629,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0053917,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.096000Z","spacegroup":1},{"id":"mp-1247107","created_at":"2022-09-04T14:46:03.639365Z","structure_string":"Ca8 Mg4 N8\n1.0\n6.352223 0.000000 -0.446965\n0.000000 8.239896 0.000000\n-0.462549 0.000000 6.217755\nCa Mg N\n8 4 8\ndirect\n0.075676 0.134011 0.690745 Ca\n0.924324 0.634011 0.809255 Ca\n0.924324 0.865989 0.309255 Ca\n0.075676 0.365989 0.190745 Ca\n0.665221 0.365554 0.554054 Ca\n0.334779 0.865554 0.945946 Ca\n0.334779 0.634446 0.445946 Ca\n0.665221 0.134446 0.054054 Ca\n0.374628 0.388895 0.881462 Mg\n0.625372 0.888895 0.618538 Mg\n0.625372 0.611105 0.118538 Mg\n0.374628 0.111105 0.381462 Mg\n0.271661 0.907246 0.555570 N\n0.728339 0.407246 0.944430 N\n0.728339 0.092754 0.444430 N\n0.271661 0.592754 0.055570 N\n0.283824 0.341341 0.544595 N\n0.716176 0.841341 0.955405 N\n0.716176 0.658659 0.455405 N\n0.283824 0.158659 0.044595 N\n","nsites":20,"nelements":3,"elements":["Ca","Mg","N"],"chemical_system":"Ca-Mg-N","density":2.7179361261307893,"density_atomic":0.06177719594844394,"volume":323.7440562483763,"volume_molar":9.748161384705398,"formula_full":"Ca8 Mg4 N8","formula_reduced":"Ca2MgN2","formula_anonymous":"AB2C2","energy":-106.76234772,"energy_per_atom":-5.3381173859999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.87434772,"band_gap":1.3316999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.191000Z","spacegroup":14},{"id":"mp-768624","created_at":"2022-09-04T14:45:40.183169Z","structure_string":"Li8 Fe4 P4 C4 O28\n1.0\n5.090515 0.000000 0.000000\n-0.026379 6.510671 0.000000\n-1.409281 -0.163092 16.569408\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.760863 0.735925 0.951336 Li\n0.247828 0.968459 0.862195 Li\n0.750333 0.033026 0.636890 Li\n0.238418 0.250366 0.548383 Li\n0.762003 0.754683 0.451730 Li\n0.248181 0.533855 0.361973 Li\n0.753147 0.031180 0.138247 Li\n0.240541 0.268419 0.047438 Li\n0.798487 0.261726 0.834488 Fe\n0.201292 0.742619 0.665328 Fe\n0.799244 0.239348 0.334921 Fe\n0.199744 0.734187 0.165348 Fe\n0.722051 0.760488 0.789835 P\n0.277816 0.243032 0.710117 P\n0.722179 0.748063 0.290388 P\n0.277480 0.245932 0.209744 P\n0.703279 0.232479 0.979828 C\n0.297884 0.748350 0.519993 C\n0.702983 0.252436 0.479955 C\n0.296666 0.769554 0.020420 C\n0.948307 0.250593 0.961749 O\n0.365695 0.782282 0.948828 O\n0.526480 0.236040 0.917619 O\n0.824410 0.936165 0.848758 O\n0.784106 0.563866 0.839346 O\n0.144652 0.233009 0.789984 O\n0.418537 0.782772 0.769740 O\n0.581138 0.218660 0.730131 O\n0.855274 0.769516 0.709939 O\n0.217776 0.440020 0.660813 O\n0.173620 0.067610 0.651086 O\n0.473479 0.774287 0.581906 O\n0.633291 0.223829 0.550693 O\n0.051908 0.743961 0.538583 O\n0.949005 0.250795 0.461670 O\n0.366654 0.724109 0.449070 O\n0.528078 0.279506 0.418418 O\n0.781157 0.935600 0.347614 O\n0.828256 0.563684 0.342074 O\n0.145564 0.272691 0.289404 O\n0.419072 0.721352 0.269942 O\n0.580588 0.222529 0.230260 O\n0.854062 0.770606 0.210715 O\n0.217826 0.430754 0.152525 O\n0.171963 0.058595 0.158285 O\n0.472552 0.769186 0.082795 O\n0.634901 0.215308 0.051234 O\n0.051227 0.752519 0.038259 O\n","nsites":48,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.7178891088430652,"density_atomic":0.0874071125792819,"volume":549.1543946891278,"volume_molar":6.889760549563592,"formula_full":"Li8 Fe4 P4 C4 O28","formula_reduced":"Li2FePCO7","formula_anonymous":"ABCD2E7","energy":-356.19247093,"energy_per_atom":-7.420676477708334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.93247093,"band_gap":2.4418,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.582000Z","spacegroup":1},{"id":"mp-770509","created_at":"2022-09-04T14:42:19.708187Z","structure_string":"Li6 Al6 V6 O24\n1.0\n5.159547 -7.042146 0.000000\n5.159547 7.042146 0.000000\n-4.452115 0.000000 7.509422\nLi Al V O\n6 6 6 24\ndirect\n0.872620 0.101068 0.273943 Li\n0.786940 0.562909 0.391414 Li\n0.562909 0.391414 0.786940 Li\n0.101068 0.273943 0.872620 Li\n0.391414 0.786940 0.562909 Li\n0.273943 0.872620 0.101068 Li\n0.945531 0.541939 0.766393 Al\n0.465437 0.236781 0.053570 Al\n0.236781 0.053570 0.465437 Al\n0.766393 0.945531 0.541939 Al\n0.541939 0.766393 0.945531 Al\n0.053570 0.465437 0.236781 Al\n0.722926 0.128023 0.899397 V\n0.610774 0.202788 0.433114 V\n0.899397 0.722926 0.128023 V\n0.433114 0.610774 0.202788 V\n0.202788 0.433114 0.610774 V\n0.128023 0.899397 0.722926 V\n0.692520 0.988986 0.019443 O\n0.954427 0.296459 0.014546 O\n0.748423 0.082469 0.429088 O\n0.587120 0.249223 0.922901 O\n0.380871 0.047073 0.358039 O\n0.720441 0.379935 0.662148 O\n0.922901 0.587120 0.249223 O\n0.606020 0.308201 0.280430 O\n0.970011 0.670364 0.642658 O\n0.014546 0.954427 0.296459 O\n0.670364 0.642658 0.970011 O\n0.308201 0.280430 0.606020 O\n0.988986 0.019443 0.692520 O\n0.358039 0.380871 0.047073 O\n0.662148 0.720441 0.379935 O\n0.379935 0.662148 0.720441 O\n0.047073 0.358039 0.380871 O\n0.429088 0.748423 0.082469 O\n0.280430 0.606020 0.308201 O\n0.642658 0.970011 0.670364 O\n0.082469 0.429088 0.748423 O\n0.019443 0.692520 0.988986 O\n0.249223 0.922901 0.587120 O\n0.296459 0.014546 0.954427 O\n","nsites":42,"nelements":4,"elements":["Li","Al","V","O"],"chemical_system":"Al-Li-O-V","density":2.717878505571092,"density_atomic":0.07696551618066537,"volume":545.6989322518295,"volume_molar":7.824466149052908,"formula_full":"Li6 Al6 V6 O24","formula_reduced":"LiAlVO4","formula_anonymous":"ABCD4","energy":-323.99934073,"energy_per_atom":-7.714270017380952,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.31134073,"band_gap":0.3260999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0485679,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.491000Z","spacegroup":146},{"id":"mp-1028226","created_at":"2022-09-04T14:47:57.019783Z","structure_string":"Mg14 Al1 W1\n1.0\n6.220397 0.047797 0.000000\n-3.068805 5.315326 0.000000\n0.000000 0.000000 10.139118\nMg Al W\n14 1 1\ndirect\n0.168395 0.334197 0.625000 Mg\n0.166652 0.833326 0.625000 Mg\n0.667527 0.333474 0.125000 Mg\n0.664156 0.333316 0.625000 Mg\n0.667527 0.834051 0.125000 Mg\n0.664156 0.830840 0.625000 Mg\n0.328365 0.159589 0.362309 Mg\n0.328365 0.159589 0.887691 Mg\n0.328365 0.668778 0.362309 Mg\n0.328365 0.668778 0.887691 Mg\n0.837029 0.168515 0.375050 Mg\n0.837029 0.168515 0.874950 Mg\n0.844680 0.672340 0.366622 Mg\n0.844680 0.672340 0.883378 Mg\n0.162209 0.331104 0.125000 Al\n0.162498 0.831248 0.125000 W\n","nsites":16,"nelements":3,"elements":["Mg","Al","W"],"chemical_system":"Al-Mg-W","density":2.7177046021521103,"density_atomic":0.047517041413462725,"volume":336.7213009071481,"volume_molar":12.67364419345726,"formula_full":"Mg14 Al1 W1","formula_reduced":"Mg14AlW","formula_anonymous":"ABC14","energy":-36.95441528,"energy_per_atom":-2.309650955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.95441528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1054929,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.493000Z","spacegroup":38},{"id":"mp-9122","created_at":"2022-09-04T14:47:11.154704Z","structure_string":"Ca2 P6\n1.0\n5.609472 0.000000 0.000000\n1.489471 5.438748 0.000000\n1.025324 1.731214 5.327301\nCa P\n2 6\ndirect\n0.675713 0.642839 0.647898 Ca\n0.324287 0.357161 0.352102 Ca\n0.598928 0.800014 0.101566 P\n0.401072 0.199986 0.898434 P\n0.004830 0.199427 0.999483 P\n0.995170 0.800573 0.000517 P\n0.127112 0.822345 0.605781 P\n0.872888 0.177655 0.394219 P\n","nsites":8,"nelements":2,"elements":["Ca","P"],"chemical_system":"Ca-P","density":2.717692061163611,"density_atomic":0.04922229173566435,"volume":162.52798717625626,"volume_molar":12.234580202686127,"formula_full":"Ca2 P6","formula_reduced":"CaP3","formula_anonymous":"AB3","energy":-41.48603056,"energy_per_atom":-5.18575382,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.48603056,"band_gap":0.0049000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:55.088000Z","spacegroup":2},{"id":"mp-1110701","created_at":"2022-09-04T14:43:48.941407Z","structure_string":"Rb2 Na1 Pr1 Cl6\n1.0\n0.000000 5.509968 5.509968\n5.509968 0.000000 5.509968\n5.509968 5.509968 0.000000\nRb Na Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.750850 0.249150 0.249150 Cl\n0.249150 0.249150 0.750850 Cl\n0.249150 0.750850 0.750850 Cl\n0.249150 0.750850 0.249150 Cl\n0.750850 0.249150 0.750850 Cl\n0.750850 0.750850 0.249150 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Na","Pr","Cl"],"chemical_system":"Cl-Na-Pr-Rb","density":2.7176683941996895,"density_atomic":0.029889783852562534,"volume":334.56247289465335,"volume_molar":20.147823047852874,"formula_full":"Rb2 Na1 Pr1 Cl6","formula_reduced":"Rb2NaPrCl6","formula_anonymous":"ABC2D6","energy":-43.46187632,"energy_per_atom":-4.346187632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.77787632,"band_gap":4.980700000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002256,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.337000Z","spacegroup":225},{"id":"mp-770525","created_at":"2022-09-04T14:46:42.114988Z","structure_string":"Na12 Mn4 C8 S2 O32\n1.0\n0.000000 7.092556 7.092556\n7.092556 0.000000 7.092556\n7.092556 7.092556 0.000000\nNa Mn C S O\n12 4 8 2 32\ndirect\n0.785616 0.785616 0.214384 Na\n0.464384 0.035616 0.035616 Na\n0.214384 0.785616 0.214384 Na\n0.785616 0.214384 0.785616 Na\n0.035616 0.464384 0.464384 Na\n0.035616 0.035616 0.464384 Na\n0.214384 0.785616 0.785616 Na\n0.214384 0.214384 0.785616 Na\n0.464384 0.035616 0.464384 Na\n0.035616 0.464384 0.035616 Na\n0.785616 0.214384 0.214384 Na\n0.464384 0.464384 0.035616 Na\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.787626 0.404125 0.404125 C\n0.404125 0.787626 0.404125 C\n0.404125 0.404125 0.404125 C\n0.404125 0.404125 0.787626 C\n0.845875 0.845875 0.462374 C\n0.845875 0.462374 0.845875 C\n0.845875 0.845875 0.845875 C\n0.462374 0.845875 0.845875 C\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n0.727979 0.984964 0.826110 O\n0.460946 0.826110 0.984964 O\n0.789054 0.522021 0.423890 O\n0.522021 0.789054 0.265036 O\n0.789054 0.265036 0.522021 O\n0.060952 0.060952 0.817145 O\n0.423890 0.522021 0.265036 O\n0.060952 0.060952 0.060952 O\n0.060952 0.817145 0.060952 O\n0.423890 0.789054 0.522021 O\n0.265036 0.789054 0.423890 O\n0.817145 0.060952 0.060952 O\n0.522021 0.423890 0.789054 O\n0.265036 0.423890 0.522021 O\n0.423890 0.265036 0.789054 O\n0.984964 0.727979 0.460946 O\n0.265036 0.522021 0.789054 O\n0.826110 0.984964 0.460946 O\n0.984964 0.826110 0.727979 O\n0.727979 0.826110 0.460946 O\n0.432855 0.189048 0.189048 O\n0.984964 0.460946 0.826110 O\n0.826110 0.460946 0.727979 O\n0.189048 0.432855 0.189048 O\n0.189048 0.189048 0.189048 O\n0.826110 0.727979 0.984964 O\n0.189048 0.189048 0.432855 O\n0.460946 0.984964 0.727979 O\n0.727979 0.460946 0.984964 O\n0.460946 0.727979 0.826110 O\n0.789054 0.423890 0.265036 O\n0.522021 0.265036 0.423890 O\n","nsites":58,"nelements":5,"elements":["Na","Mn","C","S","O"],"chemical_system":"C-Mn-Na-O-S","density":2.717620757918601,"density_atomic":0.08128111965076901,"volume":713.5728475346028,"volume_molar":7.409027810978271,"formula_full":"Na12 Mn4 C8 S2 O32","formula_reduced":"Na6Mn2C4SO16","formula_anonymous":"AB2C4D6E16","energy":-414.92146069,"energy_per_atom":-7.153818287758621,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.26546069,"band_gap":3.8957000000000006,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0014202,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.283000Z","spacegroup":203},{"id":"mp-559389","created_at":"2022-09-04T14:42:03.567995Z","structure_string":"Si6 O12\n1.0\n4.346734 -4.198007 0.000000\n4.346734 4.198007 0.000000\n0.292366 0.000000 6.035882\nSi O\n6 12\ndirect\n0.747223 0.496406 0.110767 Si\n0.496406 0.110767 0.747223 Si\n0.503594 0.889233 0.252777 Si\n0.110767 0.747223 0.496406 Si\n0.889233 0.252777 0.503594 Si\n0.252777 0.503594 0.889233 Si\n0.752066 0.274226 0.272565 O\n0.274226 0.272565 0.752066 O\n0.725774 0.727435 0.247934 O\n0.000000 0.500000 0.000000 O\n0.727435 0.247934 0.725774 O\n0.500000 0.000000 0.000000 O\n0.272565 0.752066 0.274226 O\n0.500000 0.000000 0.500000 O\n0.247934 0.725774 0.727435 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":18,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.7175928711876365,"density_atomic":0.08171382609593592,"volume":220.28095929405075,"volume_molar":7.3697941312033555,"formula_full":"Si6 O12","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-146.19966572,"energy_per_atom":-8.122203651111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.95566572,"band_gap":4.7204,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004544,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.268000Z","spacegroup":148}]}