{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3580","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3578","results":[{"id":"jvasp-54354","created_at":"2022-09-04T14:37:06.824035Z","updated_at":"2022-09-04T14:37:06.824063Z","structure_string":"Hf10 Cu2 Pb6\n1.0\n4.342857 -7.522048 -0.000000\n4.342857 7.522048 -0.000000\n-0.000000 0.000000 5.863457\nHf Cu Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Hf\n0.258440 0.000000 0.250000 Hf\n0.666667 0.333333 0.500000 Hf\n0.000000 0.741560 0.750000 Hf\n0.333333 0.666667 0.000000 Hf\n0.741561 0.741561 0.250000 Hf\n0.258440 0.258440 0.750000 Hf\n0.741560 0.000000 0.750000 Hf\n0.000000 0.258440 0.250000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.386747 0.750000 Pb\n0.613254 0.613254 0.750000 Pb\n0.386747 0.000000 0.750000 Pb\n0.000000 0.613254 0.250000 Pb\n0.386747 0.386747 0.250000 Pb\n0.613254 0.000000 0.250000 Pb\n","nsites":18,"nelements":3,"elements":["Hf","Cu","Pb"],"chemical_system":"Cu-Hf-Pb","density":13.676643279181333,"density_atomic":0.04698693701175755,"volume":383.0851965408142,"volume_molar":12.816627648005824,"formula_full":"Hf10 Cu2 Pb6","formula_reduced":"Hf5CuPb3","formula_anonymous":"AB3C5","energy_above_hull":3.636297545555556,"spacegroup":193},{"id":"jvasp-102486","created_at":"2022-09-04T14:37:00.100160Z","updated_at":"2022-09-04T14:37:00.100192Z","structure_string":"Er1 Sc1 Zn2\n1.0\n4.197663 -0.000000 2.423522\n1.399221 3.957594 2.423522\n-0.000000 -0.000000 4.847043\nEr Sc Zn\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Er\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Zn\n0.750000 0.749999 0.750000 Zn\n","nsites":4,"nelements":3,"elements":["Er","Sc","Zn"],"chemical_system":"Er-Sc-Zn","density":7.074067618533932,"density_atomic":0.04967573602301033,"volume":80.52220903475205,"volume_molar":12.122901927835516,"formula_full":"Er1 Sc1 Zn2","formula_reduced":"ErScZn2","formula_anonymous":"ABC2","energy_above_hull":0.1038640124999998,"spacegroup":225},{"id":"jvasp-19282","created_at":"2022-09-04T14:37:00.103610Z","updated_at":"2022-09-04T14:37:00.103643Z","structure_string":"Al4 Fe4 O14\n1.0\n5.665597 0.000081 3.271183\n1.888624 5.341846 3.271159\n-0.000243 -0.000203 6.542787\nAl Fe O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500001 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500001 0.500000 Al\n0.000000 0.500000 -0.000000 Fe\n0.500001 -0.000001 -0.000001 Fe\n0.000001 -0.000001 0.500000 Fe\n0.000000 -0.000000 -0.000000 Fe\n0.656699 0.093322 0.093272 O\n0.093389 0.093326 0.656653 O\n0.656682 0.656696 0.093277 O\n0.906611 0.343376 0.343361 O\n0.343347 0.906675 0.343320 O\n0.343317 0.343306 0.906723 O\n0.343301 0.906680 0.906728 O\n0.906610 0.343333 0.906721 O\n0.093390 0.656624 0.656639 O\n0.656654 0.093325 0.656680 O\n0.375037 0.374992 0.374964 O\n0.624963 0.625009 0.625036 O\n0.906611 0.906675 0.343348 O\n0.093389 0.656669 0.093278 O\n","nsites":22,"nelements":3,"elements":["Al","Fe","O"],"chemical_system":"Al-Fe-O","density":4.656531780642029,"density_atomic":0.11109902241212309,"volume":198.02154440559116,"volume_molar":5.420516426923002,"formula_full":"Al4 Fe4 O14","formula_reduced":"Al2Fe2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.8030346454545456,"spacegroup":227},{"id":"jvasp-105257","created_at":"2022-09-04T14:37:00.129532Z","updated_at":"2022-09-04T14:37:00.129566Z","structure_string":"Sr1 Dy1 O3\n1.0\n4.350406 -0.000000 0.000000\n0.000000 4.350406 0.000000\n-0.000000 -0.000000 4.350406\nSr Dy O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Dy\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Dy","O"],"chemical_system":"Dy-O-Sr","density":6.012404901389474,"density_atomic":0.060726833576067965,"volume":82.33592475617675,"volume_molar":9.9167705697293,"formula_full":"Sr1 Dy1 O3","formula_reduced":"SrDyO3","formula_anonymous":"ABC3","energy_above_hull":1.145628662,"spacegroup":221},{"id":"jvasp-5704","created_at":"2022-09-04T14:37:00.171918Z","updated_at":"2022-09-04T14:37:00.171946Z","structure_string":"Fe3 Ag3 Te6\n1.0\n4.030272 -6.980636 0.000000\n4.030272 6.980636 0.000000\n0.000000 0.000000 5.114957\nFe Ag Te\n3 3 6\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.333333 0.666667 0.185443 Ag\n0.666667 0.333333 0.814557 Ag\n0.000000 0.000000 0.000000 Ag\n0.372508 0.186254 0.247451 Te\n0.813745 0.627491 0.247451 Te\n0.813746 0.186254 0.247451 Te\n0.186254 0.813746 0.752549 Te\n0.186254 0.372508 0.752549 Te\n0.627491 0.813745 0.752549 Te\n","nsites":12,"nelements":3,"elements":["Fe","Ag","Te"],"chemical_system":"Ag-Fe-Te","density":7.250919184742255,"density_atomic":0.041694609752084555,"volume":287.80698683479227,"volume_molar":14.443451553588217,"formula_full":"Fe3 Ag3 Te6","formula_reduced":"FeAgTe2","formula_anonymous":"ABC2","energy_above_hull":1.289544573333333,"spacegroup":164},{"id":"jvasp-101794","created_at":"2022-09-04T14:37:00.585047Z","updated_at":"2022-09-04T14:37:00.585088Z","structure_string":"H12 C18 O1\n1.0\n3.691831 -0.006065 0.001185\n1.105083 5.723673 0.008042\n-0.001615 -0.002425 13.561134\nH C O\n12 18 1\ndirect\n0.681256 0.114120 0.735607 H\n0.184916 0.180742 0.622612 H\n0.681251 0.114100 0.328376 H\n0.571264 0.833550 0.441342 H\n0.475688 0.815091 0.111379 H\n0.259492 0.848084 0.779113 H\n0.891243 0.081208 0.910275 H\n0.259840 0.848121 0.284223 H\n0.475419 0.815024 0.951960 H\n0.184962 0.180714 0.441382 H\n0.891053 0.081199 0.153702 H\n0.571205 0.833591 0.621940 H\n0.457902 0.484366 0.319885 C\n0.627083 0.267744 0.280482 C\n0.746293 0.247638 0.880647 C\n0.274463 0.323693 0.480707 C\n0.746227 0.247640 0.183194 C\n0.627091 0.267754 0.783358 C\n0.386256 0.504679 0.636648 C\n0.697500 0.444513 0.941111 C\n0.515524 0.660105 0.905114 C\n0.697521 0.444534 0.122548 C\n0.457814 0.484372 0.743767 C\n0.470678 0.693993 0.583036 C\n0.397445 0.678149 0.256271 C\n0.274438 0.323708 0.583127 C\n0.470707 0.693974 0.480404 C\n0.515697 0.660145 0.158365 C\n0.397245 0.678127 0.807205 C\n0.386317 0.504656 0.426992 C\n0.873532 0.415346 0.031833 O\n","nsites":31,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4151401996356414,"density_atomic":0.1081461866900511,"volume":286.6490345040695,"volume_molar":5.5685188209729155,"formula_full":"H12 C18 O1","formula_reduced":"H12C18O","formula_anonymous":"AB12C18","energy_above_hull":5.894475596774194,"spacegroup":6},{"id":"jvasp-18537","created_at":"2022-09-04T14:37:00.594981Z","updated_at":"2022-09-04T14:37:00.594991Z","structure_string":"Ag1 Bi1 Te2\n1.0\n4.190752 -0.025987 6.205374\n1.879913 3.745531 6.205374\n-0.042414 -0.025987 7.487807\nAg Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.499999 0.500000 Bi\n0.256625 0.256625 0.256625 Te\n0.743376 0.743374 0.743375 Te\n","nsites":4,"nelements":3,"elements":["Ag","Bi","Te"],"chemical_system":"Ag-Bi-Te","density":7.964749950535257,"density_atomic":0.03353900024361705,"volume":119.26413938833068,"volume_molar":17.95563587541969,"formula_full":"Ag1 Bi1 Te2","formula_reduced":"AgBiTe2","formula_anonymous":"ABC2","energy_above_hull":0.5753117733333334,"spacegroup":166},{"id":"jvasp-107652","created_at":"2022-09-04T14:37:00.595244Z","updated_at":"2022-09-04T14:37:00.595263Z","structure_string":"Dy2 Pd1 Rh1\n1.0\n4.225593 -0.000000 2.439647\n1.408531 3.983927 2.439647\n-0.000000 -0.000000 4.879295\nDy Pd Rh\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.499999 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Dy","Pd","Rh"],"chemical_system":"Dy-Pd-Rh","density":10.801868494572759,"density_atomic":0.04869718743934659,"volume":82.14026744320886,"volume_molar":12.366506315176224,"formula_full":"Dy2 Pd1 Rh1","formula_reduced":"Dy2PdRh","formula_anonymous":"ABC2","energy_above_hull":1.6051354250000005,"spacegroup":225},{"id":"jvasp-8692","created_at":"2022-09-04T14:37:00.601077Z","updated_at":"2022-09-04T14:37:00.601103Z","structure_string":"Cs2 Pd1 I6\n1.0\n7.315631 0.036737 -2.672909\n-3.748764 6.375103 -2.442589\n0.021537 -0.036598 7.788429\nCs Pd I\n2 1 6\ndirect\n0.500000 0.750000 0.250000 Cs\n0.500000 0.250000 0.750000 Cs\n0.000000 0.000000 0.000000 Pd\n0.576768 0.788382 0.788382 I\n0.000000 0.788380 0.211620 I\n0.000000 0.211620 0.788380 I\n0.423233 0.211618 0.211618 I\n0.000004 0.664777 0.664777 I\n-0.000004 0.335222 0.335223 I\n","nsites":9,"nelements":3,"elements":["Cs","Pd","I"],"chemical_system":"Cs-I-Pd","density":5.176591789222405,"density_atomic":0.024748870308254876,"volume":363.65296225250694,"volume_molar":24.33299251639515,"formula_full":"Cs2 Pd1 I6","formula_reduced":"Cs2PdI6","formula_anonymous":"AB2C6","energy_above_hull":0.0016166666666666,"spacegroup":139},{"id":"jvasp-15251","created_at":"2022-09-04T14:37:00.606181Z","updated_at":"2022-09-04T14:37:00.606212Z","structure_string":"Mg1 Cu4 Sn1\n1.0\n4.343073 0.000000 2.507474\n1.447691 4.094688 2.507474\n-0.000000 -0.000000 5.014949\nMg Cu Sn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.126795 0.624402 0.624401 Cu\n0.624400 0.624402 0.126794 Cu\n0.624401 0.126795 0.624401 Cu\n0.624400 0.624402 0.624401 Cu\n0.000000 0.000000 0.000000 Sn\n","nsites":6,"nelements":3,"elements":["Mg","Cu","Sn"],"chemical_system":"Cu-Mg-Sn","density":7.39558917634301,"density_atomic":0.06727702593177909,"volume":89.18349045458964,"volume_molar":8.951258883094255,"formula_full":"Mg1 Cu4 Sn1","formula_reduced":"MgCu4Sn","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-15129","created_at":"2022-09-04T14:37:00.654008Z","updated_at":"2022-09-04T14:37:00.654026Z","structure_string":"U2 Te2 O2\n1.0\n3.900487 0.000000 0.000000\n0.000000 3.900487 0.000000\n0.000000 0.000000 8.535639\nU Te O\n2 2 2\ndirect\n0.000000 0.500000 0.148986 U\n0.500000 0.000000 0.851014 U\n0.000000 0.500000 0.659071 Te\n0.500000 0.000000 0.340929 Te\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["U","Te","O"],"chemical_system":"O-Te-U","density":9.759913499974317,"density_atomic":0.046203783667868745,"volume":129.85949469269437,"volume_molar":13.033869267697977,"formula_full":"U2 Te2 O2","formula_reduced":"UTeO","formula_anonymous":"ABC","energy_above_hull":2.019849088888889,"spacegroup":129},{"id":"jvasp-56757","created_at":"2022-09-04T14:37:00.131928Z","updated_at":"2022-09-04T14:37:00.131960Z","structure_string":"Sr1 Si6 N8\n1.0\n4.511268 -0.000000 1.783651\n1.888000 6.046595 1.821656\n0.002221 0.000377 6.591226\nSr Si N\n1 6 8\ndirect\n0.343218 0.500000 0.500001 Sr\n0.012320 0.043361 0.635863 Si\n0.691546 0.364137 0.956640 Si\n0.012321 0.635863 0.043361 Si\n0.691546 0.956639 0.364138 Si\n0.486672 0.873267 0.873268 Si\n0.233205 0.126733 0.126733 Si\n0.783996 0.292138 0.707862 N\n0.403390 0.985090 0.620732 N\n0.889005 0.816584 0.816585 N\n0.009212 0.014909 0.379269 N\n0.783996 0.707862 0.292139 N\n0.403390 0.620731 0.985092 N\n0.009212 0.379269 0.014910 N\n0.522173 0.183416 0.183416 N\n","nsites":15,"nelements":3,"elements":["Sr","Si","N"],"chemical_system":"N-Si-Sr","density":3.4009766161156723,"density_atomic":0.08344067890084096,"volume":179.76843186793417,"volume_molar":7.2172720060877955,"formula_full":"Sr1 Si6 N8","formula_reduced":"Sr(Si3N4)2","formula_anonymous":"AB6C8","energy_above_hull":4.843854260666666,"spacegroup":44}]}