{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10165","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10163","results":[{"id":"mp-9076","created_at":"2022-09-04T14:40:43.179750Z","structure_string":"Na1 Tm1 S2\n1.0\n6.770154 -1.965653 0.000000\n6.770154 1.965653 0.000000\n6.199445 0.000000 3.356437\nNa Tm S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.258692 0.258692 0.258692 S\n0.741308 0.741308 0.741308 S\n","nsites":4,"nelements":3,"elements":["Na","Tm","S"],"chemical_system":"Na-S-Tm","density":4.75955916916723,"density_atomic":0.0447760825475564,"volume":89.33340686406912,"volume_molar":13.44945876764436,"formula_full":"Na1 Tm1 S2","formula_reduced":"NaTmS2","formula_anonymous":"ABC2","energy":-22.47608207,"energy_per_atom":-5.6190205175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.47008207,"band_gap":2.3614,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.67e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.644000Z","spacegroup":166},{"id":"mp-758918","created_at":"2022-09-04T14:40:43.519673Z","structure_string":"Li24 Cu24 P24 O96\n1.0\n4.976581 -8.619691 0.000000\n4.976581 8.619691 0.000000\n0.000000 0.000000 22.812923\nLi Cu P O\n24 24 24 96\ndirect\n0.024109 0.940721 0.418012 Li\n0.062424 0.553872 0.917012 Li\n0.060977 0.510238 0.253395 Li\n0.019380 0.484286 0.587822 Li\n0.464906 0.980620 0.921156 Li\n0.449261 0.939023 0.586728 Li\n0.059279 0.083387 0.084679 Li\n0.491448 0.937576 0.250346 Li\n0.083387 0.024109 0.251345 Li\n0.446128 0.508552 0.583679 Li\n0.489762 0.550739 0.920062 Li\n0.515714 0.535094 0.254489 Li\n0.484286 0.464906 0.754489 Li\n0.510238 0.449261 0.420062 Li\n0.553872 0.491448 0.083679 Li\n0.916613 0.975891 0.751345 Li\n0.508552 0.062424 0.750346 Li\n0.940721 0.916613 0.584679 Li\n0.550739 0.060977 0.086728 Li\n0.535094 0.019380 0.421156 Li\n0.980620 0.515714 0.087822 Li\n0.939023 0.489762 0.753395 Li\n0.937576 0.446128 0.417012 Li\n0.975891 0.059279 0.918012 Li\n0.144556 0.832309 0.684013 Cu\n0.192969 0.891853 0.009714 Cu\n0.181193 0.783569 0.378880 Cu\n0.108147 0.301115 0.676381 Cu\n0.327693 0.675348 0.815341 Cu\n0.324652 0.652345 0.482008 Cu\n0.347655 0.672307 0.148675 Cu\n0.167691 0.312247 0.350680 Cu\n0.216431 0.397623 0.045547 Cu\n0.602377 0.818807 0.712214 Cu\n0.301115 0.192969 0.843048 Cu\n0.312247 0.144556 0.517347 Cu\n0.687753 0.855444 0.017347 Cu\n0.698885 0.807031 0.343048 Cu\n0.397623 0.181193 0.212214 Cu\n0.783569 0.602377 0.545547 Cu\n0.832309 0.687753 0.850680 Cu\n0.652345 0.327693 0.648675 Cu\n0.675348 0.347655 0.982008 Cu\n0.672307 0.324652 0.315341 Cu\n0.891853 0.698885 0.176381 Cu\n0.818807 0.216431 0.878880 Cu\n0.807031 0.108147 0.509714 Cu\n0.855444 0.167691 0.184013 Cu\n0.176854 0.853197 0.814764 P\n0.127887 0.778934 0.507981 P\n0.225959 0.887737 0.145658 P\n0.112263 0.338222 0.812324 P\n0.328197 0.688471 0.008162 P\n0.146803 0.323657 0.481431 P\n0.311529 0.639726 0.674828 P\n0.360274 0.671803 0.341495 P\n0.221066 0.348953 0.174648 P\n0.651047 0.872113 0.841315 P\n0.338222 0.225959 0.978991 P\n0.323657 0.176854 0.648097 P\n0.676343 0.823146 0.148097 P\n0.661778 0.774041 0.478991 P\n0.348953 0.127887 0.341315 P\n0.778934 0.651047 0.674648 P\n0.639726 0.328197 0.841495 P\n0.688471 0.360274 0.174828 P\n0.853197 0.676343 0.981431 P\n0.671803 0.311529 0.508162 P\n0.887737 0.661778 0.312324 P\n0.774041 0.112263 0.645658 P\n0.872113 0.221066 0.007981 P\n0.823146 0.146803 0.314764 P\n0.014658 0.713399 0.800702 O\n0.152131 0.977057 0.846211 O\n0.017142 0.688022 0.559044 O\n0.131007 0.935590 0.495825 O\n0.197254 0.996679 0.186284 O\n0.075700 0.729672 0.134777 O\n0.067391 0.672913 0.452591 O\n0.268477 0.912718 0.755743 O\n0.287619 0.970165 0.086188 O\n0.154340 0.634014 0.681608 O\n0.208659 0.714381 0.974380 O\n0.277993 0.815780 0.856627 O\n0.211382 0.651727 0.312851 O\n0.293526 0.813583 0.523616 O\n0.029835 0.317454 0.752855 O\n0.353880 0.863147 0.174377 O\n0.136853 0.490733 0.841043 O\n0.003321 0.200574 0.852950 O\n0.087282 0.355759 0.422409 O\n0.022943 0.175073 0.512878 O\n0.250179 0.612225 0.069660 O\n0.064410 0.195417 0.162492 O\n0.184220 0.462213 0.523293 O\n0.186417 0.479943 0.190282 O\n0.362046 0.749821 0.402993 O\n0.285619 0.494277 0.641047 O\n0.387775 0.637954 0.736327 O\n0.348273 0.559654 0.979518 O\n0.440346 0.788618 0.646185 O\n0.479674 0.845660 0.014942 O\n0.365986 0.520326 0.348275 O\n0.175073 0.152131 0.679544 O\n0.200574 0.197254 0.019617 O\n0.270328 0.346028 0.801444 O\n0.327087 0.394478 0.119258 O\n0.505723 0.791341 0.307714 O\n0.195417 0.131007 0.329158 O\n0.286601 0.301259 0.467369 O\n0.311978 0.329120 0.225711 O\n0.520057 0.706474 0.856949 O\n0.605522 0.932609 0.785925 O\n0.537787 0.722007 0.189960 O\n0.317454 0.287619 0.919522 O\n0.670880 0.982858 0.892377 O\n0.509267 0.646120 0.507710 O\n0.355759 0.268477 0.589076 O\n0.653972 0.924300 0.468110 O\n0.698741 0.985342 0.134035 O\n0.301259 0.014658 0.634035 O\n0.346028 0.075700 0.968110 O\n0.644241 0.731523 0.089076 O\n0.490733 0.353880 0.007710 O\n0.329120 0.017142 0.392377 O\n0.682546 0.712381 0.419522 O\n0.462213 0.277993 0.689960 O\n0.394478 0.067391 0.285925 O\n0.479943 0.293526 0.356949 O\n0.688022 0.670880 0.725711 O\n0.713399 0.698741 0.967369 O\n0.804583 0.868993 0.829158 O\n0.494277 0.208659 0.807714 O\n0.672913 0.605522 0.619258 O\n0.729672 0.653972 0.301444 O\n0.799426 0.802746 0.519617 O\n0.824927 0.847869 0.179544 O\n0.634014 0.479674 0.848275 O\n0.520326 0.154340 0.514942 O\n0.559654 0.211382 0.146185 O\n0.651727 0.440346 0.479518 O\n0.612225 0.362046 0.236327 O\n0.714381 0.505723 0.141047 O\n0.637954 0.250179 0.902993 O\n0.813583 0.520057 0.690282 O\n0.815780 0.537787 0.023293 O\n0.935590 0.804583 0.662492 O\n0.749821 0.387775 0.569660 O\n0.977057 0.824927 0.012878 O\n0.912718 0.644241 0.922409 O\n0.996679 0.799426 0.352950 O\n0.863147 0.509267 0.341043 O\n0.646120 0.136853 0.674377 O\n0.970165 0.682546 0.252855 O\n0.706474 0.186417 0.023616 O\n0.788618 0.348273 0.812851 O\n0.722007 0.184220 0.356627 O\n0.791341 0.285619 0.474380 O\n0.845660 0.365986 0.181608 O\n0.712381 0.029835 0.586188 O\n0.731523 0.087282 0.255743 O\n0.932609 0.327087 0.952591 O\n0.924300 0.270328 0.634777 O\n0.802746 0.003321 0.686284 O\n0.868993 0.064410 0.995825 O\n0.982858 0.311978 0.059044 O\n0.847869 0.022943 0.346211 O\n0.985342 0.286601 0.300702 O\n","nsites":168,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.3691112734992785,"density_atomic":0.08583720678008969,"volume":1957.1932300920157,"volume_molar":7.015769717936421,"formula_full":"Li24 Cu24 P24 O96","formula_reduced":"LiCuPO4","formula_anonymous":"ABCD4","energy":-1106.77156362,"energy_per_atom":-6.587925973928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1040.81956362,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.3982511,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.034000Z","spacegroup":170},{"id":"mp-614456","created_at":"2022-09-04T14:40:43.831991Z","structure_string":"He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n","nsites":1,"nelements":1,"elements":["He"],"chemical_system":"He","density":0.5256754057633166,"density_atomic":0.0790908336294941,"volume":12.643690224388857,"volume_molar":7.614208225710568,"formula_full":"He1","formula_reduced":"He","formula_anonymous":"A","energy":-0.00075975,"energy_per_atom":-0.00075975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.00075975,"band_gap":17.8914,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.661000Z","spacegroup":225},{"id":"mp-1179707","created_at":"2022-09-04T14:40:43.167185Z","structure_string":"Sr1 Mo6 S8\n1.0\n10.047093 3.205111 0.457484\n-4.917022 1.073198 3.409601\n-7.571408 -6.650153 6.624634\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.280193 0.890325 0.000546 Mo\n0.381798 0.550822 0.344416 Mo\n0.371687 0.530549 0.828021 Mo\n0.719807 0.109675 0.999454 Mo\n0.618202 0.449178 0.655584 Mo\n0.628313 0.469451 0.171979 Mo\n0.057785 0.252946 0.217215 S\n0.422971 0.001221 0.323751 S\n0.955606 0.444693 0.411036 S\n0.942215 0.747054 0.782785 S\n0.577029 0.998779 0.676249 S\n0.044394 0.555307 0.588964 S\n0.375160 0.736727 0.935128 S\n0.624840 0.263273 0.064872 S\n","nsites":15,"nelements":3,"elements":["Sr","Mo","S"],"chemical_system":"Mo-S-Sr","density":4.497725617223158,"density_atomic":0.044172416408493426,"volume":339.5784342265644,"volume_molar":13.63326086648515,"formula_full":"Sr1 Mo6 S8","formula_reduced":"Sr(Mo3S4)2","formula_anonymous":"AB6C8","energy":-104.24874972,"energy_per_atom":-6.949916648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.22474972,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003489,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.108000Z","spacegroup":2},{"id":"mp-1184131","created_at":"2022-09-04T14:40:43.191462Z","structure_string":"Er2 Ag1 Os1\n1.0\n0.000000 3.469728 3.469728\n3.469728 0.000000 3.469728\n3.469728 3.469728 0.000000\nEr Ag Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Er","Ag","Os"],"chemical_system":"Ag-Er-Os","density":12.573990230412203,"density_atomic":0.04787884920340336,"volume":83.54419679150662,"volume_molar":12.577872818989832,"formula_full":"Er2 Ag1 Os1","formula_reduced":"Er2AgOs","formula_anonymous":"ABC2","energy":-24.4829808,"energy_per_atom":-6.1207452,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.4829808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047247,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.895000Z","spacegroup":225},{"id":"mp-1205642","created_at":"2022-09-04T14:40:43.197454Z","structure_string":"Tb4 Co2 Si4\n1.0\n2.073605 5.232344 0.000000\n-2.073605 5.232344 0.000000\n0.000000 4.870612 8.745835\nTb Co Si\n4 2 4\ndirect\n0.999271 0.999271 0.328657 Tb\n0.000729 0.000729 0.671343 Tb\n0.812903 0.812903 0.107331 Tb\n0.187097 0.187097 0.892669 Tb\n0.726918 0.726918 0.623125 Co\n0.273082 0.273082 0.376875 Co\n0.651721 0.651721 0.434100 Si\n0.348279 0.348279 0.565900 Si\n0.505949 0.505949 0.125163 Si\n0.494051 0.494051 0.874837 Si\n","nsites":10,"nelements":3,"elements":["Tb","Co","Si"],"chemical_system":"Co-Si-Tb","density":7.576491698026015,"density_atomic":0.05269220883650211,"volume":189.78137794581463,"volume_molar":11.428901716164555,"formula_full":"Tb4 Co2 Si4","formula_reduced":"Tb2CoSi2","formula_anonymous":"AB2C2","energy":-61.67084681,"energy_per_atom":-6.167084681,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.95484681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7335197,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.349000Z","spacegroup":12},{"id":"mp-761277","created_at":"2022-09-04T14:40:43.199312Z","structure_string":"Li4 Fe8 B8 O24\n1.0\n-5.275692 0.000000 0.000000\n-0.041676 -9.113526 0.000000\n2.566511 4.523748 10.098376\nLi Fe B O\n4 8 8 24\ndirect\n0.832256 0.183591 0.346332 Li\n0.393886 0.049025 0.103620 Li\n0.071151 0.410181 0.838750 Li\n0.570459 0.905066 0.834359 Li\n0.600579 0.588229 0.868963 Fe\n0.905142 0.885395 0.121623 Fe\n0.157200 0.477667 0.614102 Fe\n0.342808 0.021834 0.375492 Fe\n0.654456 0.977323 0.618142 Fe\n0.852551 0.533840 0.366798 Fe\n0.091618 0.095202 0.872794 Fe\n0.397732 0.404007 0.128210 Fe\n0.352375 0.345941 0.364266 B\n0.105172 0.769315 0.875433 B\n0.854858 0.857635 0.371064 B\n0.594664 0.265508 0.874648 B\n0.152418 0.147365 0.629138 B\n0.398030 0.729040 0.117305 B\n0.658480 0.642578 0.623146 B\n0.897225 0.226064 0.123936 B\n0.869619 0.789840 0.916062 O\n0.525990 0.539787 0.657444 O\n0.787765 0.092803 0.132663 O\n0.477639 0.211586 0.355405 O\n0.121918 0.370854 0.411572 O\n0.186379 0.615383 0.823629 O\n0.731832 0.385844 0.867275 O\n0.935085 0.965652 0.319174 O\n0.282323 0.875655 0.154483 O\n0.368409 0.097728 0.580124 O\n0.066139 0.293492 0.641173 O\n0.623893 0.727017 0.074097 O\n0.362173 0.291269 0.919660 O\n0.642536 0.900831 0.428376 O\n0.680381 0.110154 0.834099 O\n0.023839 0.049939 0.669890 O\n0.287448 0.595916 0.117161 O\n0.770191 0.363360 0.152837 O\n0.873436 0.594968 0.572311 O\n0.579610 0.793460 0.647769 O\n0.978865 0.729101 0.363114 O\n0.255303 0.903897 0.893074 O\n0.445194 0.455219 0.322425 O\n0.137225 0.218211 0.089183 O\n","nsites":44,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2319333494001565,"density_atomic":0.09062233944351716,"volume":485.5314955472342,"volume_molar":6.645315930906268,"formula_full":"Li4 Fe8 B8 O24","formula_reduced":"LiFe2(BO3)2","formula_anonymous":"AB2C2D6","energy":-347.38972515,"energy_per_atom":-7.895221026136364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.85372515,"band_gap":1.6772999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.943000Z","spacegroup":1},{"id":"mp-1195548","created_at":"2022-09-04T14:40:43.204205Z","structure_string":"K8 Th4 As8 O32\n1.0\n11.577478 0.000000 0.000000\n0.000000 7.912853 0.000000\n0.000000 4.507306 9.033144\nK Th As O\n8 4 8 32\ndirect\n0.625738 0.145897 0.956269 K\n0.874262 0.145897 0.456269 K\n0.374262 0.854103 0.043731 K\n0.125738 0.854103 0.543731 K\n0.880255 0.336210 0.048329 K\n0.619745 0.336210 0.548329 K\n0.119745 0.663790 0.951671 K\n0.380255 0.663790 0.451671 K\n0.636828 0.744102 0.781367 Th\n0.863172 0.744102 0.281367 Th\n0.363172 0.255898 0.218633 Th\n0.136828 0.255898 0.718633 Th\n0.861385 0.935725 0.854668 As\n0.638615 0.935725 0.354668 As\n0.138615 0.064275 0.145332 As\n0.361385 0.064275 0.645332 As\n0.631855 0.534305 0.141086 As\n0.868145 0.534305 0.641086 As\n0.368145 0.465695 0.858914 As\n0.131855 0.465695 0.358914 As\n0.761173 0.504804 0.233453 O\n0.738827 0.504804 0.733453 O\n0.238827 0.495196 0.766547 O\n0.261173 0.495196 0.266547 O\n0.858933 0.947362 0.020919 O\n0.641067 0.947362 0.520919 O\n0.141067 0.052638 0.979081 O\n0.358933 0.052638 0.479081 O\n0.842548 0.707919 0.878209 O\n0.657452 0.707919 0.378209 O\n0.157452 0.292081 0.121791 O\n0.342548 0.292081 0.621791 O\n0.739329 0.039434 0.751094 O\n0.760671 0.039434 0.251094 O\n0.260671 0.960566 0.248906 O\n0.239329 0.960566 0.748906 O\n0.605410 0.768475 0.021989 O\n0.894590 0.768475 0.521989 O\n0.394590 0.231525 0.978011 O\n0.105410 0.231525 0.478011 O\n0.639204 0.445554 0.012558 O\n0.860796 0.445554 0.512558 O\n0.360796 0.554446 0.987442 O\n0.139204 0.554446 0.487442 O\n0.985843 0.028936 0.755987 O\n0.514157 0.028936 0.255987 O\n0.014157 0.971064 0.244013 O\n0.485843 0.971064 0.744013 O\n0.519960 0.425689 0.263668 O\n0.980040 0.425689 0.763668 O\n0.480040 0.574311 0.736332 O\n0.019960 0.574311 0.236332 O\n","nsites":52,"nelements":4,"elements":["K","Th","As","O"],"chemical_system":"As-K-O-Th","density":4.720134539947314,"density_atomic":0.0628372756952697,"volume":827.5342847798618,"volume_molar":9.583707589750489,"formula_full":"K8 Th4 As8 O32","formula_reduced":"K2Th(AsO4)2","formula_anonymous":"AB2C2D8","energy":-366.01681639,"energy_per_atom":-7.038784930576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-344.03281639,"band_gap":3.8901,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044854,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.529000Z","spacegroup":14},{"id":"mp-1173894","created_at":"2022-09-04T14:40:43.221334Z","structure_string":"Li4 Co2 O6\n1.0\n1.481709 4.910420 0.000000\n-1.481709 4.910420 0.000000\n0.000000 3.285924 7.171625\nLi Co O\n4 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.160794 0.160794 0.164716 Li\n0.839206 0.839206 0.835284 Li\n0.500000 0.500000 0.000000 Li\n0.160016 0.160016 0.677991 Co\n0.839984 0.839984 0.322009 Co\n0.175092 0.175092 0.431707 O\n0.825024 0.825024 0.109995 O\n0.513230 0.513230 0.743103 O\n0.824908 0.824908 0.568293 O\n0.486770 0.486770 0.256897 O\n0.174976 0.174976 0.890005 O\n","nsites":12,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":3.8447229924878394,"density_atomic":0.11498789377769675,"volume":104.35881209546548,"volume_molar":5.237195466544031,"formula_full":"Li4 Co2 O6","formula_reduced":"Li2CoO3","formula_anonymous":"AB2C3","energy":-71.77303046,"energy_per_atom":-5.981085871666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.37503046,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3785011,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.543000Z","spacegroup":12},{"id":"mp-1028012","created_at":"2022-09-04T14:40:43.242164Z","structure_string":"Y1 Mg14 Nb1\n1.0\n6.491719 -0.000000 -0.000000\n-3.245860 5.621993 -0.000000\n0.000000 0.000000 10.075981\nY Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.174130 0.837064 0.125000 Mg\n0.165969 0.832984 0.625000 Mg\n0.662936 0.325870 0.125000 Mg\n0.667016 0.334031 0.625000 Mg\n0.662936 0.837064 0.125000 Mg\n0.667016 0.832984 0.625000 Mg\n0.330963 0.169037 0.385209 Mg\n0.330963 0.169037 0.864791 Mg\n0.330963 0.661926 0.385209 Mg\n0.330963 0.661926 0.864791 Mg\n0.838074 0.169037 0.385209 Mg\n0.838074 0.169037 0.864791 Mg\n0.833333 0.666667 0.370985 Mg\n0.833333 0.666667 0.879015 Mg\n0.166667 0.333333 0.625000 Nb\n","nsites":16,"nelements":3,"elements":["Y","Mg","Nb"],"chemical_system":"Mg-Nb-Y","density":2.3574943240565776,"density_atomic":0.04350935342971088,"volume":367.7370206350667,"volume_molar":13.841025630796228,"formula_full":"Y1 Mg14 Nb1","formula_reduced":"YMg14Nb","formula_anonymous":"ABC14","energy":-37.46302795,"energy_per_atom":-2.341439246875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.46302795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0093414,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.708000Z","spacegroup":187},{"id":"mp-754357","created_at":"2022-09-04T14:40:43.379977Z","structure_string":"Li2 Fe2 P2 O8\n1.0\n0.000000 4.369511 0.000000\n2.184755 -2.184755 4.626006\n6.554267 2.184755 -4.626006\nLi Fe P O\n2 2 2 8\ndirect\n0.500000 0.250000 0.250000 Li\n0.500000 0.750000 0.750000 Li\n0.750000 0.375000 0.875000 Fe\n0.750000 0.875000 0.375000 Fe\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 P\n0.321782 0.238090 0.044752 O\n0.321782 0.738090 0.544752 O\n0.717158 0.967552 0.160891 O\n0.717158 0.467552 0.660891 O\n0.871557 0.551918 0.358579 O\n0.871557 0.051918 0.858579 O\n0.089503 0.242440 0.435778 O\n0.089503 0.742440 0.935778 O\n","nsites":14,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.965970773397454,"density_atomic":0.07925490948265639,"volume":176.64520837114407,"volume_molar":7.598445067075428,"formula_full":"Li2 Fe2 P2 O8","formula_reduced":"LiFePO4","formula_anonymous":"ABCD4","energy":-104.71573375,"energy_per_atom":-7.479695267857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.70773375,"band_gap":3.1927000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.716000Z","spacegroup":82},{"id":"mp-1202309","created_at":"2022-09-04T14:40:43.561589Z","structure_string":"Al20 H80 N20 F80\n1.0\n11.758454 0.000000 0.000000\n-0.000000 11.758454 0.000000\n0.000000 -0.000000 12.918508\nAl H N F\n20 80 20 80\ndirect\n0.250000 0.250000 0.746469 Al\n0.250000 0.250000 0.246469 Al\n0.750000 0.750000 0.253531 Al\n0.750000 0.750000 0.753531 Al\n0.174509 0.542800 0.753266 Al\n0.174509 0.957200 0.253266 Al\n0.325491 0.542800 0.253266 Al\n0.325491 0.957200 0.753266 Al\n0.542800 0.174509 0.753266 Al\n0.957200 0.174509 0.253266 Al\n0.542800 0.325491 0.253266 Al\n0.957200 0.325491 0.753266 Al\n0.825491 0.457200 0.246734 Al\n0.825491 0.042800 0.746734 Al\n0.674509 0.457200 0.746734 Al\n0.674509 0.042800 0.246734 Al\n0.457200 0.825491 0.246734 Al\n0.042800 0.825491 0.746734 Al\n0.457200 0.674509 0.746734 Al\n0.042800 0.674509 0.246734 Al\n0.134125 0.467139 0.997404 H\n0.134125 0.032861 0.497404 H\n0.365875 0.467139 0.497404 H\n0.365875 0.032861 0.997404 H\n0.467139 0.134125 0.997404 H\n0.032861 0.134125 0.497404 H\n0.467139 0.365875 0.497404 H\n0.032861 0.365875 0.997404 H\n0.865875 0.532861 0.002596 H\n0.865875 0.967139 0.502596 H\n0.634125 0.532861 0.502596 H\n0.634125 0.967139 0.002596 H\n0.532861 0.865875 0.002596 H\n0.967139 0.865875 0.502596 H\n0.532861 0.634125 0.502596 H\n0.967139 0.634125 0.002596 H\n0.058261 0.441739 0.107968 H\n0.058261 0.058261 0.607968 H\n0.441739 0.441739 0.607968 H\n0.441739 0.058261 0.107968 H\n0.941739 0.558261 0.892032 H\n0.941739 0.941739 0.392032 H\n0.558261 0.558261 0.392032 H\n0.558261 0.941739 0.892032 H\n0.154369 0.345631 0.065534 H\n0.154369 0.154369 0.565534 H\n0.345631 0.345631 0.565534 H\n0.345631 0.154369 0.065534 H\n0.845631 0.654369 0.934466 H\n0.845631 0.845631 0.434466 H\n0.654369 0.654369 0.434466 H\n0.654369 0.845631 0.934466 H\n0.111589 0.010653 0.916161 H\n0.111589 0.489347 0.416161 H\n0.388411 0.010653 0.416161 H\n0.388411 0.489347 0.916161 H\n0.010653 0.111589 0.916161 H\n0.489347 0.111589 0.416161 H\n0.010653 0.388411 0.416161 H\n0.489347 0.388411 0.916161 H\n0.888411 0.989347 0.083839 H\n0.888411 0.510653 0.583839 H\n0.611589 0.989347 0.583839 H\n0.611589 0.510653 0.083839 H\n0.989347 0.888411 0.083839 H\n0.510653 0.888411 0.583839 H\n0.989347 0.611589 0.583839 H\n0.510653 0.611589 0.083839 H\n0.150023 0.150023 0.922187 H\n0.150023 0.349977 0.422187 H\n0.349977 0.150023 0.422187 H\n0.349977 0.349977 0.922187 H\n0.849977 0.849977 0.077813 H\n0.849977 0.650023 0.577813 H\n0.650023 0.849977 0.577813 H\n0.650023 0.650023 0.077813 H\n0.085779 0.085779 0.023947 H\n0.085779 0.414221 0.523947 H\n0.414221 0.085779 0.523947 H\n0.414221 0.414221 0.023947 H\n0.914221 0.914221 0.976053 H\n0.914221 0.585779 0.476053 H\n0.585779 0.914221 0.476053 H\n0.585779 0.585779 0.976053 H\n0.248876 0.677732 0.954283 H\n0.248876 0.822268 0.454283 H\n0.251124 0.677732 0.454283 H\n0.251124 0.822268 0.954283 H\n0.677732 0.248876 0.954283 H\n0.822268 0.248876 0.454283 H\n0.677732 0.251124 0.454283 H\n0.822268 0.251124 0.954283 H\n0.751124 0.322268 0.045717 H\n0.751124 0.177732 0.545717 H\n0.748876 0.322268 0.545717 H\n0.748876 0.177732 0.045717 H\n0.322268 0.751124 0.045717 H\n0.177732 0.751124 0.545717 H\n0.322268 0.748876 0.545717 H\n0.177732 0.748876 0.045717 H\n0.094030 0.405970 0.042853 N\n0.094030 0.094030 0.542853 N\n0.405970 0.405970 0.542853 N\n0.405970 0.094030 0.042853 N\n0.905970 0.594030 0.957147 N\n0.905970 0.905970 0.457147 N\n0.594030 0.594030 0.457147 N\n0.594030 0.905970 0.957147 N\n0.089857 0.089857 0.944089 N\n0.089857 0.410143 0.444089 N\n0.410143 0.089857 0.444089 N\n0.410143 0.410143 0.944089 N\n0.910143 0.910143 0.055911 N\n0.910143 0.589857 0.555911 N\n0.589857 0.910143 0.555911 N\n0.589857 0.589857 0.055911 N\n0.250000 0.750000 -0.000000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 -0.000000 N\n0.750000 0.250000 0.500000 N\n0.250000 0.250000 0.606987 F\n0.250000 0.250000 0.106987 F\n0.750000 0.750000 0.393013 F\n0.750000 0.750000 0.893013 F\n0.250000 0.250000 0.885307 F\n0.250000 0.250000 0.385307 F\n0.750000 0.750000 0.114693 F\n0.750000 0.750000 0.614693 F\n0.033724 0.466276 0.775701 F\n0.033724 0.033724 0.275701 F\n0.466276 0.466276 0.275701 F\n0.466276 0.033724 0.775701 F\n0.966276 0.533724 0.224299 F\n0.966276 0.966276 0.724299 F\n0.533724 0.533724 0.724299 F\n0.533724 0.966276 0.224299 F\n0.149103 0.542894 0.618555 F\n0.149103 0.957106 0.118555 F\n0.350897 0.542894 0.118555 F\n0.350897 0.957106 0.618555 F\n0.542894 0.149103 0.618555 F\n0.957106 0.149103 0.118555 F\n0.542894 0.350897 0.118555 F\n0.957106 0.350897 0.618555 F\n0.850897 0.457106 0.381445 F\n0.850897 0.042894 0.881445 F\n0.649103 0.457106 0.881445 F\n0.649103 0.042894 0.381445 F\n0.457106 0.850897 0.381445 F\n0.042894 0.850897 0.881445 F\n0.457106 0.649103 0.881445 F\n0.042894 0.649103 0.381445 F\n0.108213 0.683409 0.764982 F\n0.108213 0.816591 0.264982 F\n0.391787 0.683409 0.264982 F\n0.391787 0.816591 0.764982 F\n0.683409 0.108213 0.764982 F\n0.816591 0.108213 0.264982 F\n0.683409 0.391787 0.264982 F\n0.816591 0.391787 0.764982 F\n0.891787 0.316591 0.235018 F\n0.891787 0.183409 0.735018 F\n0.608213 0.316591 0.735018 F\n0.608213 0.183409 0.235018 F\n0.316591 0.891787 0.235018 F\n0.183409 0.891787 0.735018 F\n0.316591 0.608213 0.735018 F\n0.183409 0.608213 0.235018 F\n0.251143 0.405425 0.745751 F\n0.251143 0.094575 0.245751 F\n0.248857 0.405425 0.245751 F\n0.248857 0.094575 0.745751 F\n0.405425 0.251143 0.745751 F\n0.094575 0.251143 0.245751 F\n0.405425 0.248857 0.245751 F\n0.094575 0.248857 0.745751 F\n0.748857 0.594575 0.254249 F\n0.748857 0.905425 0.754249 F\n0.751143 0.594575 0.754249 F\n0.751143 0.905425 0.254249 F\n0.594575 0.748857 0.254249 F\n0.905425 0.748857 0.754249 F\n0.594575 0.751143 0.754249 F\n0.905425 0.751143 0.254249 F\n0.194235 0.543720 0.892155 F\n0.194235 0.956280 0.392155 F\n0.305765 0.543720 0.392155 F\n0.305765 0.956280 0.892155 F\n0.543720 0.194235 0.892155 F\n0.956280 0.194235 0.392155 F\n0.543720 0.305765 0.392155 F\n0.956280 0.305765 0.892155 F\n0.805765 0.456280 0.107845 F\n0.805765 0.043720 0.607845 F\n0.694235 0.456280 0.607845 F\n0.694235 0.043720 0.107845 F\n0.456280 0.805765 0.107845 F\n0.043720 0.805765 0.607845 F\n0.456280 0.694235 0.607845 F\n0.043720 0.694235 0.107845 F\n","nsites":200,"nelements":4,"elements":["Al","H","N","F"],"chemical_system":"Al-F-H-N","density":2.2500932009527292,"density_atomic":0.1119739988516616,"volume":1786.1289411031173,"volume_molar":5.378159949416361,"formula_full":"Al20 H80 N20 F80","formula_reduced":"AlH4NF4","formula_anonymous":"ABC4D4","energy":-1105.21740282,"energy_per_atom":-5.5260870141,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1061.03740282,"band_gap":6.654,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0063019,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.392000Z","spacegroup":138}]}