{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12157","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12155","results":[{"id":"mp-1093961","created_at":"2022-09-04T14:47:22.363537Z","structure_string":"Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Sc","In","Cu"],"chemical_system":"Cu-In-Sc","density":0.38176000832671436,"density_atomic":0.003427834045123255,"volume":1166.9176358437655,"volume_molar":175.68355645943944,"formula_full":"Sc2 In1 Cu1","formula_reduced":"Sc2InCu","formula_anonymous":"ABC2","energy":-10.97450487,"energy_per_atom":-2.7436262175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.97450487,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002171,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.854000Z","spacegroup":71},{"id":"mp-1095901","created_at":"2022-09-04T14:48:04.025214Z","structure_string":"Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n","nsites":4,"nelements":3,"elements":["Sr","Ca","Ag"],"chemical_system":"Ag-Ca-Sr","density":0.38157164428836043,"density_atomic":0.0026763517605962062,"volume":1494.5718492209435,"volume_molar":225.01305129855047,"formula_full":"Sr1 Ca1 Ag2","formula_reduced":"SrCaAg2","formula_anonymous":"ABC2","energy":-5.12442851,"energy_per_atom":-1.2811071275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.12442851,"band_gap":0.0045999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.75e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.005000Z","spacegroup":71},{"id":"mp-1182484","created_at":"2022-09-04T14:41:57.290501Z","structure_string":"C6 N8\n1.0\n3.240711 -5.613075 0.000000\n3.240711 5.613075 0.000000\n0.000000 0.000000 22.053852\nC N\n6 8\ndirect\n0.556136 0.694360 0.250000 C\n0.138224 0.443864 0.250000 C\n0.305640 0.861776 0.250000 C\n0.443864 0.305640 0.750000 C\n0.861776 0.556136 0.750000 C\n0.694360 0.138224 0.750000 C\n0.742714 0.708670 0.250000 N\n0.965956 0.257286 0.250000 N\n0.291330 0.034044 0.250000 N\n0.257286 0.291330 0.750000 N\n0.034044 0.742714 0.750000 N\n0.708670 0.965956 0.750000 N\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":14,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":0.3810564126032712,"density_atomic":0.017449076064274004,"volume":802.3347453143498,"volume_molar":34.51266266372689,"formula_full":"C6 N8","formula_reduced":"C3N4","formula_anonymous":"A3B4","energy":-113.87652204,"energy_per_atom":-8.13403728857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.98852204,"band_gap":5.0405,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002039,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.519000Z","spacegroup":176},{"id":"mp-1095976","created_at":"2022-09-04T14:46:29.467534Z","structure_string":"Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Mg","Ga","Cu"],"chemical_system":"Cu-Ga-Mg","density":0.380972637080476,"density_atomic":0.005045708074048951,"volume":792.752957820285,"volume_molar":119.35174749750247,"formula_full":"Mg2 Ga1 Cu1","formula_reduced":"Mg2GaCu","formula_anonymous":"ABC2","energy":-4.87150231,"energy_per_atom":-1.2178755775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.87150231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7452612,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.829000Z","spacegroup":71},{"id":"mp-1096465","created_at":"2022-09-04T14:47:15.663126Z","structure_string":"Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Ag"],"chemical_system":"Ag-Cd-Sr","density":0.38014631753407924,"density_atomic":0.00231522983903387,"volume":1727.690241617296,"volume_molar":260.10984561744414,"formula_full":"Sr2 Cd1 Ag1","formula_reduced":"Sr2CdAg","formula_anonymous":"ABC2","energy":-3.27183168,"energy_per_atom":-0.81795792,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.27183168,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000638,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.253000Z","spacegroup":71},{"id":"mp-1209782","created_at":"2022-09-04T14:45:41.711240Z","structure_string":"Pr2 Sb3 Pd1\n1.0\n9.831525 0.000000 0.000000\n0.000000 9.831525 0.000000\n0.000000 0.000000 34.132600\nPr Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.263854 Pr\n0.500000 0.500000 0.736146 Pr\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.656434 Sb\n0.500000 0.500000 0.343566 Sb\n0.500000 0.500000 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Pr","Sb","Pd"],"chemical_system":"Pd-Pr-Sb","density":0.3792538737437613,"density_atomic":0.00181861221311589,"volume":3299.219018066527,"volume_molar":331.13935541442686,"formula_full":"Pr2 Sb3 Pd1","formula_reduced":"Pr2Sb3Pd","formula_anonymous":"AB2C3","energy":-13.20986522,"energy_per_atom":-2.201644203333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.63386522,"band_gap":0.0933999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.309711,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.927000Z","spacegroup":123},{"id":"mp-1093853","created_at":"2022-09-04T14:41:04.397309Z","structure_string":"Sc2 Zn1 Cd1\n1.0\n-5.759831 5.976439 8.520642\n5.759831 -5.976439 8.520642\n5.759831 5.976439 -8.520642\nSc Zn Cd\n2 1 1\ndirect\n0.000000 0.241030 0.241030 Sc\n0.000000 0.758970 0.758970 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Cd"],"chemical_system":"Cd-Sc-Zn","density":0.37893485337545485,"density_atomic":0.0034093803158574978,"volume":1173.2337344107516,"volume_molar":176.63446732505005,"formula_full":"Sc2 Zn1 Cd1","formula_reduced":"Sc2ZnCd","formula_anonymous":"ABC2","energy":-6.79094162,"energy_per_atom":-1.697735405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.79094162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9991095,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.745000Z","spacegroup":71},{"id":"mp-1097447","created_at":"2022-09-04T14:39:07.614634Z","structure_string":"Li1 Be2 Rh1\n1.0\n-7.848453 0.000000 -4.531307\n-7.974080 -0.011112 4.748899\n-5.268939 7.640180 0.063457\nLi Be Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.722149 0.000000 0.000000 Be\n0.277851 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Be","Rh"],"chemical_system":"Be-Li-Rh","density":0.37842921051042777,"density_atomic":0.007128923361859901,"volume":561.0945435884753,"volume_molar":84.47475802894382,"formula_full":"Li1 Be2 Rh1","formula_reduced":"LiBe2Rh","formula_anonymous":"ABC2","energy":-8.54204245,"energy_per_atom":-2.1355106125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.54204245,"band_gap":0.3769999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008978,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.110000Z","spacegroup":71},{"id":"mp-1040425","created_at":"2022-09-04T14:43:20.754324Z","structure_string":"C2\n1.0\n1.234015 -2.137377 0.000000\n1.234015 2.137377 0.000000\n0.000000 0.000000 19.998293\nC\n2\ndirect\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 C\n","nsites":2,"nelements":1,"elements":["C"],"chemical_system":"C","density":0.37811414066880783,"density_atomic":0.018958566771636154,"volume":105.49320653247867,"volume_molar":31.7647469481169,"formula_full":"C2","formula_reduced":"C","formula_anonymous":"A","energy":-18.43837011,"energy_per_atom":-9.219185055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.43837011,"band_gap":0.0001000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003069,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.363000Z","spacegroup":191},{"id":"mp-1213086","created_at":"2022-09-04T14:42:29.399031Z","structure_string":"Mn1 Sn3 F6\n1.0\n11.037258 0.000000 0.000000\n5.160110 10.106782 0.000000\n1.869528 1.626842 20.686563\nMn Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.606678 0.398799 0.920204 F\n0.393322 0.601201 0.079796 F\n0.004639 0.921137 0.594557 F\n0.995361 0.078863 0.405443 F\n0.914091 0.704348 0.004444 F\n0.085909 0.295652 0.995556 F\n","nsites":10,"nelements":3,"elements":["Mn","Sn","F"],"chemical_system":"F-Mn-Sn","density":0.3778281645699469,"density_atomic":0.004333487689577126,"volume":2307.610109070329,"volume_molar":138.96752896020476,"formula_full":"Mn1 Sn3 F6","formula_reduced":"MnSn3F6","formula_anonymous":"AB3C6","energy":-45.18775477,"energy_per_atom":-4.518775477,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.74775477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.717195,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.150000Z","spacegroup":2},{"id":"mp-1097607","created_at":"2022-09-04T14:46:30.938230Z","structure_string":"Li1 Be1 Cu2\n1.0\n-4.684716 4.873069 6.890182\n4.684716 -4.873069 6.890182\n4.684716 4.873069 -6.890182\nLi Be Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Be\n0.000000 0.277974 0.277974 Cu\n0.000000 0.722026 0.722026 Cu\n","nsites":4,"nelements":3,"elements":["Li","Be","Cu"],"chemical_system":"Be-Cu-Li","density":0.3775250887645538,"density_atomic":0.006357457675875622,"volume":629.1823247488744,"volume_molar":94.72561308354383,"formula_full":"Li1 Be1 Cu2","formula_reduced":"LiBeCu2","formula_anonymous":"ABC2","energy":-7.22660883,"energy_per_atom":-1.8066522075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.22660883,"band_gap":0.3140999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0000512,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.143000Z","spacegroup":71},{"id":"mp-1206986","created_at":"2022-09-04T14:43:15.668117Z","structure_string":"Lu2 Te3\n1.0\n9.523692 0.000000 0.000000\n0.000000 9.523692 0.000000\n0.000000 0.000000 35.550539\nLu Te\n2 3\ndirect\n0.500000 0.500000 0.284243 Lu\n0.500000 0.500000 0.715757 Lu\n0.500000 0.500000 0.642129 Te\n0.500000 0.500000 0.357871 Te\n0.500000 0.500000 0.000000 Te\n","nsites":5,"nelements":2,"elements":["Lu","Te"],"chemical_system":"Lu-Te","density":0.37734497269204664,"density_atomic":0.0015506476711979807,"volume":3224.459103683534,"volume_molar":388.3629319449135,"formula_full":"Lu2 Te3","formula_reduced":"Lu2Te3","formula_anonymous":"A2B3","energy":-12.5163605,"energy_per_atom":-2.5032721,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.2503605,"band_gap":0.1543000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8082747,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.509000Z","spacegroup":123}]}