{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10233","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10231","results":[{"id":"mp-568221","created_at":"2022-09-04T14:48:14.477456Z","structure_string":"Ta5 Sb4\n1.0\n-5.211004 5.211004 1.699243\n5.211004 -5.211004 1.699243\n5.211004 5.211004 -1.699243\nTa Sb\n5 4\ndirect\n0.348645 0.953906 0.302551 Ta\n0.046094 0.348645 0.394740 Ta\n0.953906 0.651355 0.605260 Ta\n0.651355 0.046094 0.697449 Ta\n0.000000 0.000000 0.000000 Ta\n0.364989 0.677411 0.042400 Sb\n0.677411 0.635011 0.312422 Sb\n0.635011 0.322589 0.957600 Sb\n0.322589 0.364989 0.687578 Sb\n","nsites":9,"nelements":2,"elements":["Ta","Sb"],"chemical_system":"Sb-Ta","density":12.521639830006611,"density_atomic":0.04876230375700577,"volume":184.5688022626895,"volume_molar":12.34999230145025,"formula_full":"Ta5 Sb4","formula_reduced":"Ta5Sb4","formula_anonymous":"A4B5","energy":-75.62680526,"energy_per_atom":-8.402978362222221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.85880526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0192277,"is_theoretical":false,"updated_at":"2021-11-28T01:38:50.830000Z","spacegroup":87},{"id":"mp-1211720","created_at":"2022-09-04T14:48:14.478948Z","structure_string":"K2 Rb1 Er1 V2 O8\n1.0\n2.999639 -5.195528 0.000000\n2.999639 5.195528 0.000000\n0.000000 0.000000 7.823712\nK Rb Er V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.702010 K\n0.666667 0.333333 0.297990 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.253215 V\n0.666667 0.333333 0.746785 V\n0.333333 0.666667 0.038106 O\n0.666667 0.333333 0.961894 O\n0.173325 0.826675 0.330071 O\n0.826675 0.173325 0.669929 O\n0.173325 0.346651 0.330071 O\n0.826675 0.653349 0.669929 O\n0.653349 0.826675 0.330071 O\n0.346651 0.173325 0.669929 O\n","nsites":14,"nelements":5,"elements":["K","Rb","Er","V","O"],"chemical_system":"Er-K-O-Rb-V","density":3.818711151844032,"density_atomic":0.057409862098444765,"volume":243.86054047635938,"volume_molar":10.489732146845096,"formula_full":"K2 Rb1 Er1 V2 O8","formula_reduced":"K2RbErV2O8","formula_anonymous":"ABC2D2E8","energy":-103.92106351,"energy_per_atom":-7.422933107857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.02506351,"band_gap":3.4178,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0352235,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.397000Z","spacegroup":164},{"id":"mp-1227342","created_at":"2022-09-04T14:48:14.488134Z","structure_string":"Be2 Co1\n1.0\n0.000000 1.919492 5.332543\n1.338494 0.000000 5.332543\n1.338494 1.919492 0.000000\nBe Co\n2 1\ndirect\n0.336058 0.336058 0.663942 Be\n0.663942 0.663942 0.336058 Be\n0.000000 0.000000 0.000000 Co\n","nsites":3,"nelements":2,"elements":["Be","Co"],"chemical_system":"Be-Co","density":4.663728763226148,"density_atomic":0.1094848827844749,"volume":27.401043173290077,"volume_molar":5.500431298679665,"formula_full":"Be2 Co1","formula_reduced":"Be2Co","formula_anonymous":"AB2","energy":-14.62986445,"energy_per_atom":-4.8766214833333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.62986445,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7585693,"is_theoretical":true,"updated_at":"2021-11-28T01:38:47.426000Z","spacegroup":69},{"id":"mp-1200021","created_at":"2022-09-04T14:48:14.490657Z","structure_string":"Co6 P8 H16 N4 O24 F8\n1.0\n7.652787 0.000000 0.000000\n0.000000 9.771136 0.000000\n0.000000 1.496724 10.560874\nCo P H N O F\n6 8 16 4 24 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.963357 0.421320 0.637422 Co\n0.463357 0.078680 0.362578 Co\n0.036643 0.578680 0.362578 Co\n0.536643 0.921320 0.637422 Co\n0.922136 0.777639 0.760074 P\n0.422136 0.722361 0.239926 P\n0.077864 0.222361 0.239926 P\n0.577864 0.277639 0.760074 P\n0.694407 0.793754 0.406592 P\n0.194407 0.706246 0.593408 P\n0.305593 0.206246 0.593408 P\n0.805593 0.293754 0.406592 P\n0.798987 0.475547 0.974159 H\n0.298987 0.024453 0.025841 H\n0.201013 0.524453 0.025841 H\n0.701013 0.975547 0.974159 H\n0.914492 0.580013 0.146695 H\n0.414492 0.919987 0.853305 H\n0.085508 0.419987 0.853305 H\n0.585508 0.080013 0.146695 H\n0.639849 0.566756 0.025798 H\n0.139849 0.933244 0.974202 H\n0.360151 0.433244 0.974202 H\n0.860151 0.066756 0.025798 H\n0.697073 0.418443 0.107428 H\n0.197073 0.081557 0.892572 H\n0.302927 0.581557 0.892572 H\n0.802927 0.918443 0.107428 H\n0.744434 0.505454 0.053902 N\n0.244434 0.994546 0.946098 N\n0.255566 0.494546 0.946098 N\n0.755566 0.005454 0.053902 N\n0.606867 0.781023 0.260738 O\n0.106867 0.718977 0.739262 O\n0.393133 0.218977 0.739262 O\n0.893133 0.281023 0.260738 O\n0.693958 0.645089 0.470332 O\n0.193958 0.854911 0.529668 O\n0.306042 0.354911 0.529668 O\n0.806042 0.145089 0.470332 O\n0.631332 0.363681 0.382807 O\n0.131332 0.136319 0.617193 O\n0.368668 0.636319 0.617193 O\n0.868668 0.863681 0.382807 O\n0.642067 0.394858 0.667959 O\n0.142067 0.105142 0.332041 O\n0.357933 0.605142 0.332041 O\n0.857933 0.894858 0.667959 O\n0.055441 0.612695 0.542137 O\n0.555441 0.887305 0.457863 O\n0.944559 0.387305 0.457863 O\n0.444559 0.112695 0.542137 O\n0.981106 0.390149 0.807776 O\n0.481106 0.109851 0.192224 O\n0.018894 0.609851 0.192224 O\n0.518894 0.890149 0.807776 O\n0.791109 0.656190 0.774208 F\n0.291109 0.843810 0.225792 F\n0.208891 0.343810 0.225792 F\n0.708891 0.156190 0.774208 F\n0.933220 0.807428 0.898450 F\n0.433220 0.692572 0.101550 F\n0.066780 0.192572 0.101550 F\n0.566780 0.307428 0.898450 F\n","nsites":66,"nelements":6,"elements":["Co","P","H","N","O","F"],"chemical_system":"Co-F-H-N-O-P","density":2.543291534325218,"density_atomic":0.083575578330583,"volume":789.704376785012,"volume_molar":7.205622599677907,"formula_full":"Co6 P8 H16 N4 O24 F8","formula_reduced":"Co3P4H8N2(O3F)4","formula_anonymous":"A2B3C4D4E8F12","energy":-421.70708893,"energy_per_atom":-6.389501347424242,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.25108893,"band_gap":2.4025,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":18.0000443,"is_theoretical":true,"updated_at":"2021-11-28T01:38:46.855000Z","spacegroup":14},{"id":"mp-568477","created_at":"2022-09-04T14:48:14.496378Z","structure_string":"Rb8 Sb4 Br24\n1.0\n-5.491433 5.491433 11.123478\n5.491433 -5.491433 11.123478\n5.491433 5.491433 -11.123478\nRb Sb Br\n8 4 24\ndirect\n0.376807 0.359136 0.481600 Rb\n0.104793 0.623193 0.982328 Rb\n0.877536 0.895207 0.518400 Rb\n0.109136 0.127536 0.482328 Rb\n0.373193 0.890864 0.018400 Rb\n0.645207 0.626807 0.517672 Rb\n0.640864 0.122464 0.017672 Rb\n0.872464 0.354793 0.981600 Rb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.007552 0.775656 0.283407 Br\n0.015983 0.253565 0.263190 Br\n0.275855 0.992448 0.768104 Br\n0.003565 0.240375 0.737582 Br\n0.129878 0.629878 0.500000 Br\n0.257751 0.525855 0.783407 Br\n0.492249 0.724145 0.716593 Br\n0.502793 0.265983 0.262418 Br\n0.474145 0.257552 0.731896 Br\n0.620122 0.620122 0.000000 Br\n0.525656 0.742249 0.268104 Br\n0.124165 0.124165 0.000000 Br\n0.875835 0.875835 0.000000 Br\n0.990375 0.752793 0.736810 Br\n0.746435 0.009625 0.762418 Br\n0.247207 0.984017 0.237582 Br\n0.742448 0.474344 0.216593 Br\n0.224344 0.507751 0.231896 Br\n0.370122 0.870122 0.500000 Br\n0.874165 0.374165 0.500000 Br\n0.379878 0.379878 0.000000 Br\n0.625835 0.125835 0.500000 Br\n0.759625 0.497207 0.763190 Br\n0.734017 0.996435 0.236810 Br\n","nsites":36,"nelements":3,"elements":["Rb","Sb","Br"],"chemical_system":"Br-Rb-Sb","density":3.8222729401207194,"density_atomic":0.02683060902592109,"volume":1341.7511307782968,"volume_molar":22.445039373433534,"formula_full":"Rb8 Sb4 Br24","formula_reduced":"Rb2SbBr6","formula_anonymous":"AB2C6","energy":-117.25279949,"energy_per_atom":-3.2570222080555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.66879949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002972,"is_theoretical":false,"updated_at":"2021-11-28T01:38:44.769000Z","spacegroup":88},{"id":"mp-769630","created_at":"2022-09-04T14:48:14.496622Z","structure_string":"Li2 Mn3 F8\n1.0\n5.418132 -3.163189 0.000000\n5.418132 3.163189 0.000000\n3.571413 0.000000 5.158190\nLi Mn F\n2 3 8\ndirect\n0.128792 0.128792 0.128792 Li\n0.871208 0.871208 0.871208 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.578934 0.095194 0.095194 F\n0.095194 0.095194 0.578934 F\n0.095194 0.578934 0.095194 F\n0.403581 0.403581 0.403581 F\n0.596419 0.596419 0.596419 F\n0.904806 0.421066 0.904806 F\n0.904806 0.904806 0.421066 F\n0.421066 0.904806 0.904806 F\n","nsites":13,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.10569917054264,"density_atomic":0.0735260606898292,"volume":176.80805795975792,"volume_molar":8.19048471181462,"formula_full":"Li2 Mn3 F8","formula_reduced":"Li2Mn3F8","formula_anonymous":"A2B3C8","energy":-84.78406881000001,"energy_per_atom":-6.521851446923078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.08406881,"band_gap":3.3809,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.9998389,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.526000Z","spacegroup":166},{"id":"mp-753652","created_at":"2022-09-04T14:48:14.510817Z","structure_string":"Na3 Ni2 P2 C2 O14\n1.0\n8.861891 -0.004991 0.069698\n0.150884 5.169338 -0.001036\n0.053721 -0.002759 6.512701\nNa Ni P C O\n3 2 2 2 14\ndirect\n0.255864 0.244612 0.473784 Na\n0.744786 0.753030 0.512379 Na\n0.746491 0.753838 0.985732 Na\n0.342474 0.782948 0.759313 Ni\n0.653402 0.220714 0.250053 Ni\n0.422107 0.718925 0.251950 P\n0.573409 0.280147 0.751682 P\n0.070410 0.710902 0.749284 C\n0.927599 0.284282 0.247509 C\n0.065018 0.321473 0.250752 O\n0.127319 0.938761 0.751805 O\n0.172696 0.526217 0.752178 O\n0.323978 0.785028 0.066633 O\n0.321088 0.789510 0.441336 O\n0.425357 0.134848 0.745096 O\n0.465218 0.424694 0.259792 O\n0.538712 0.579375 0.751744 O\n0.572714 0.866264 0.251105 O\n0.677747 0.212076 0.563529 O\n0.673204 0.207903 0.937286 O\n0.826162 0.474023 0.246271 O\n0.868329 0.056919 0.246058 O\n0.931206 0.672497 0.744886 O\n","nsites":23,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.762527229414547,"density_atomic":0.07709504692148393,"volume":298.33304367041814,"volume_molar":7.811319923228196,"formula_full":"Na3 Ni2 P2 C2 O14","formula_reduced":"Na3Ni2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-159.08341109,"energy_per_atom":-6.916670047391304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.38341109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998517,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.463000Z","spacegroup":1},{"id":"mp-29988","created_at":"2022-09-04T14:48:14.513750Z","structure_string":"Cs4 Pd8 Cl20\n1.0\n5.562177 0.000000 0.000000\n0.000000 10.951024 0.000000\n0.000000 0.000000 16.323295\nCs Pd Cl\n4 8 20\ndirect\n0.605203 0.750000 0.735366 Cs\n0.105203 0.250000 0.764634 Cs\n0.394797 0.250000 0.264634 Cs\n0.894797 0.750000 0.235366 Cs\n0.717878 0.415355 0.049741 Pd\n0.217878 0.584645 0.450259 Pd\n0.282122 0.915355 0.950259 Pd\n0.782122 0.084645 0.549741 Pd\n0.282122 0.584645 0.950259 Pd\n0.782122 0.415355 0.549741 Pd\n0.717878 0.084645 0.049741 Pd\n0.217878 0.915355 0.450259 Pd\n0.531464 0.418487 0.919998 Cl\n0.031464 0.581513 0.580002 Cl\n0.468536 0.918487 0.080002 Cl\n0.968536 0.081513 0.419998 Cl\n0.468536 0.581513 0.080002 Cl\n0.968536 0.418487 0.419998 Cl\n0.531464 0.081513 0.919998 Cl\n0.031464 0.918487 0.580002 Cl\n0.883883 0.426949 0.178592 Cl\n0.383883 0.573051 0.321408 Cl\n0.116117 0.926949 0.821408 Cl\n0.616117 0.073051 0.678592 Cl\n0.043158 0.750000 0.984748 Cl\n0.543158 0.250000 0.515252 Cl\n0.956842 0.250000 0.015252 Cl\n0.456842 0.750000 0.484748 Cl\n0.383883 0.926949 0.321408 Cl\n0.883883 0.073051 0.178592 Cl\n0.616117 0.426949 0.678592 Cl\n0.116117 0.573051 0.821408 Cl\n","nsites":32,"nelements":3,"elements":["Cs","Pd","Cl"],"chemical_system":"Cl-Cs-Pd","density":3.493913040398253,"density_atomic":0.03218419221002051,"volume":994.276935434062,"volume_molar":18.711486436266732,"formula_full":"Cs4 Pd8 Cl20","formula_reduced":"CsPd2Cl5","formula_anonymous":"AB2C5","energy":-122.37496448,"energy_per_atom":-3.82421764,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.09496448,"band_gap":1.3553,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004518,"is_theoretical":false,"updated_at":"2021-11-28T01:38:42.466000Z","spacegroup":62},{"id":"mp-1025156","created_at":"2022-09-04T14:48:14.529048Z","structure_string":"Np1 B6\n1.0\n4.091109 0.000000 0.000000\n0.000000 4.091109 0.000000\n0.000000 0.000000 4.091109\nNp B\n1 6\ndirect\n0.000000 0.000000 0.000000 Np\n0.197711 0.500000 0.500000 B\n0.802289 0.500000 0.500000 B\n0.500000 0.197711 0.500000 B\n0.500000 0.802289 0.500000 B\n0.500000 0.500000 0.197711 B\n0.500000 0.500000 0.802289 B\n","nsites":7,"nelements":2,"elements":["Np","B"],"chemical_system":"B-Np","density":7.320489896840065,"density_atomic":0.10222918256549102,"volume":68.47359848070383,"volume_molar":5.8908235484931515,"formula_full":"Np1 B6","formula_reduced":"NpB6","formula_anonymous":"AB6","energy":-54.90711786,"energy_per_atom":-7.84387398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.90711786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0992371,"is_theoretical":false,"updated_at":"2021-11-28T01:38:46.542000Z","spacegroup":221},{"id":"mp-1110878","created_at":"2022-09-04T14:48:14.530884Z","structure_string":"K3 Sm1 Cl6\n1.0\n0.000000 5.676061 5.676061\n5.676061 0.000000 5.676061\n5.676061 5.676061 0.000000\nK Sm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.763045 0.236955 0.236955 Cl\n0.236955 0.236955 0.763045 Cl\n0.236955 0.763045 0.763045 Cl\n0.236955 0.763045 0.236955 Cl\n0.763045 0.236955 0.763045 Cl\n0.763045 0.763045 0.236955 Cl\n","nsites":10,"nelements":3,"elements":["K","Sm","Cl"],"chemical_system":"Cl-K-Sm","density":2.1810038807531944,"density_atomic":0.02734190953016069,"volume":365.7389030919388,"volume_molar":22.02531155827655,"formula_full":"K3 Sm1 Cl6","formula_reduced":"K3SmCl6","formula_anonymous":"AB3C6","energy":-43.21309906,"energy_per_atom":-4.321309906,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.52909906,"band_gap":4.6072,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007242,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.520000Z","spacegroup":225},{"id":"mp-1208609","created_at":"2022-09-04T14:48:14.539094Z","structure_string":"Tb6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.555116\n-4.426507 -7.666935 0.000000\n-4.426507 7.666935 0.000000\nTb Co Sn\n6 16 8\ndirect\n0.784624 0.475491 0.950981 Tb\n0.784624 0.475491 0.524509 Tb\n0.284624 0.524509 0.049019 Tb\n0.784624 0.049019 0.524509 Tb\n0.284624 0.524509 0.475491 Tb\n0.284624 0.950981 0.475491 Tb\n0.624640 0.666667 0.333333 Co\n0.124640 0.333333 0.666667 Co\n0.754916 0.097841 0.195682 Co\n0.754916 0.097841 0.902159 Co\n0.254916 0.902159 0.804318 Co\n0.754916 0.804318 0.902159 Co\n0.254916 0.902159 0.097841 Co\n0.254916 0.195682 0.097841 Co\n0.943615 0.840736 0.681472 Co\n0.943615 0.840736 0.159264 Co\n0.443615 0.159264 0.318528 Co\n0.943615 0.318528 0.159264 Co\n0.443615 0.159264 0.840736 Co\n0.443615 0.681472 0.840736 Co\n0.998757 0.000000 0.000000 Co\n0.498757 0.000000 0.000000 Co\n0.974357 0.666667 0.333333 Sn\n0.474357 0.333333 0.666667 Sn\n0.572627 0.829065 0.658129 Sn\n0.572627 0.829065 0.170935 Sn\n0.072627 0.170935 0.341871 Sn\n0.572627 0.341871 0.170935 Sn\n0.072627 0.170935 0.829065 Sn\n0.072627 0.658129 0.829065 Sn\n","nsites":30,"nelements":3,"elements":["Tb","Co","Sn"],"chemical_system":"Co-Sn-Tb","density":9.21626238278668,"density_atomic":0.058501524767874596,"volume":512.8071468057553,"volume_molar":10.29398940266081,"formula_full":"Tb6 Co16 Sn8","formula_reduced":"Tb3(Co2Sn)4","formula_anonymous":"A3B4C8","energy":-182.69803441,"energy_per_atom":-6.089934480333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.69803441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.5764089,"is_theoretical":true,"updated_at":"2021-11-28T01:38:37.163000Z","spacegroup":186},{"id":"mp-1221061","created_at":"2022-09-04T14:48:14.542889Z","structure_string":"Na3 Dy3 Ir3 O12\n1.0\n0.000000 0.000000 -3.251557\n-9.381022 -0.144238 0.000000\n-4.565597 8.196321 0.000000\nNa Dy Ir O\n3 3 3 12\ndirect\n0.000000 0.020621 0.979379 Na\n0.500000 0.300923 0.000218 Na\n0.500000 0.999782 0.699077 Na\n0.500000 0.314610 0.342496 Dy\n0.500000 0.657504 0.685390 Dy\n0.500000 0.702265 0.297735 Dy\n0.000000 0.332661 0.667339 Ir\n0.000000 0.673406 0.003089 Ir\n0.000000 0.996911 0.326594 Ir\n0.500000 0.462486 0.537514 O\n0.500000 0.546205 0.999658 O\n0.500000 0.000342 0.453795 O\n0.000000 0.464878 0.785438 O\n0.000000 0.783607 0.758981 O\n0.000000 0.743366 0.450583 O\n0.000000 0.214562 0.535122 O\n0.000000 0.241019 0.216393 O\n0.000000 0.549417 0.256634 O\n0.500000 0.202405 0.797595 O\n0.500000 0.806739 0.013808 O\n0.500000 0.986192 0.193261 O\n","nsites":21,"nelements":4,"elements":["Na","Dy","Ir","O"],"chemical_system":"Dy-Ir-Na-O","density":8.726454587284605,"density_atomic":0.08328275442450132,"volume":252.1530435095926,"volume_molar":7.2309577194151,"formula_full":"Na3 Dy3 Ir3 O12","formula_reduced":"NaDyIrO4","formula_anonymous":"ABCD4","energy":-152.65008259,"energy_per_atom":-7.269051551904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.40608259,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5681253,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.735000Z","spacegroup":38}]}