{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=97","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=95","results":[{"id":"jvasp-101430","created_at":"2022-09-04T14:37:04.051903Z","updated_at":"2022-09-04T14:37:04.051927Z","structure_string":"Er2 Br2 O2\n1.0\n3.798264 0.000000 -0.000000\n0.000000 3.798264 0.000000\n-0.000000 0.000000 8.295676\nEr Br O\n2 2 2\ndirect\n0.000000 0.499999 0.135628 Er\n0.499999 0.000000 0.864372 Er\n0.000000 0.499999 0.667472 Br\n0.499999 0.000000 0.332528 Br\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.000000 O\n","nsites":6,"nelements":3,"elements":["Er","Br","O"],"chemical_system":"Br-Er-O","density":7.302656204096195,"density_atomic":0.05013363261410327,"volume":119.68013660977199,"volume_molar":12.012177147334603,"formula_full":"Er2 Br2 O2","formula_reduced":"ErBrO","formula_anonymous":"ABC","energy_above_hull":0.047752535,"spacegroup":129},{"id":"jvasp-101431","created_at":"2022-09-04T14:36:42.118932Z","updated_at":"2022-09-04T14:36:42.118966Z","structure_string":"Tb1 Bi1 Pt1\n1.0\n4.134700 0.000000 2.387170\n1.378233 3.898232 2.387170\n0.000000 0.000000 4.774340\nTb Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n","nsites":3,"nelements":3,"elements":["Tb","Bi","Pt"],"chemical_system":"Bi-Pt-Tb","density":12.148553079036027,"density_atomic":0.03898488206804956,"volume":76.95290689255873,"volume_molar":15.447374573272098,"formula_full":"Tb1 Bi1 Pt1","formula_reduced":"TbBiPt","formula_anonymous":"ABC","energy_above_hull":1.1140013666666666,"spacegroup":216},{"id":"jvasp-101433","created_at":"2022-09-04T14:37:05.670723Z","updated_at":"2022-09-04T14:37:05.670745Z","structure_string":"Tb1 H1 Se1\n1.0\n3.852875 0.000000 0.000000\n-1.926438 3.336687 0.000000\n-0.000000 -0.000000 3.923687\nTb H Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666668 0.000000 H\n0.666668 0.333333 0.500000 Se\n","nsites":3,"nelements":3,"elements":["Tb","H","Se"],"chemical_system":"H-Se-Tb","density":7.864267995584238,"density_atomic":0.059473912632880384,"volume":50.44228414091994,"volume_molar":10.125684511751185,"formula_full":"Tb1 H1 Se1","formula_reduced":"TbHSe","formula_anonymous":"ABC","energy_above_hull":1.0832572555555555,"spacegroup":187},{"id":"jvasp-101435","created_at":"2022-09-04T14:36:42.729560Z","updated_at":"2022-09-04T14:36:42.729586Z","structure_string":"U2 Ga2 Au2\n1.0\n4.854019 -0.000000 -0.000000\n-2.427008 4.203705 0.000000\n-0.000000 -0.000000 5.785339\nU Ga Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.666667 0.333333 0.250000 Ga\n0.333332 0.666666 0.750000 Ga\n0.333332 0.666666 0.250000 Au\n0.666667 0.333333 0.750000 Au\n","nsites":6,"nelements":3,"elements":["U","Ga","Au"],"chemical_system":"Au-Ga-U","density":14.199262348887972,"density_atomic":0.050826328026750536,"volume":118.04905514406086,"volume_molar":11.848467111042275,"formula_full":"U2 Ga2 Au2","formula_reduced":"UGaAu","formula_anonymous":"ABC","energy_above_hull":1.656441965,"spacegroup":194},{"id":"jvasp-101436","created_at":"2022-09-04T14:36:39.658398Z","updated_at":"2022-09-04T14:36:39.658420Z","structure_string":"Th2 Si2 Os4 C2\n1.0\n5.999283 -0.012831 -0.000000\n-4.661218 3.776849 0.000000\n-0.000000 0.000000 7.208812\nTh Si Os C\n2 2 4 2\ndirect\n0.553560 0.446440 0.250000 Th\n0.446440 0.553560 0.750000 Th\n0.272764 0.727237 0.250000 Si\n0.727236 0.272764 0.750000 Si\n0.835206 0.164794 0.055749 Os\n0.164794 0.835206 0.944250 Os\n0.164794 0.835206 0.555749 Os\n0.835206 0.164794 0.444251 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Th","Si","Os","C"],"chemical_system":"C-Os-Si-Th","density":13.303855907686561,"density_atomic":0.06138400064577108,"volume":162.90889962853748,"volume_molar":9.810603246197644,"formula_full":"Th2 Si2 Os4 C2","formula_reduced":"ThSiOs2C","formula_anonymous":"ABCD2","energy_above_hull":5.10903284,"spacegroup":63},{"id":"jvasp-101437","created_at":"2022-09-04T14:37:08.992013Z","updated_at":"2022-09-04T14:37:08.992033Z","structure_string":"Na1 Th1 Ti2 O6\n1.0\n3.905728 0.000000 0.000000\n0.000000 3.905728 0.000000\n0.000000 -0.000000 7.844988\nNa Th Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.242639 Ti\n0.000000 0.000000 0.757361 Ti\n0.000000 0.500000 0.282417 O\n0.000000 0.500000 0.717583 O\n0.500000 0.000000 0.282417 O\n0.500000 0.000000 0.717583 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":10,"nelements":4,"elements":["Na","Th","Ti","O"],"chemical_system":"Na-O-Th-Ti","density":6.199053499766499,"density_atomic":0.08356101873585949,"volume":119.67302638578995,"volume_molar":7.206878100704212,"formula_full":"Na1 Th1 Ti2 O6","formula_reduced":"NaThTi2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.6430302266666663,"spacegroup":123},{"id":"jvasp-101438","created_at":"2022-09-04T14:36:43.306383Z","updated_at":"2022-09-04T14:36:43.306407Z","structure_string":"K1 Th1 Ti2 O6\n1.0\n3.943270 0.000000 0.000000\n0.000000 3.943270 0.000000\n0.000000 0.000000 7.839618\nK Th Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.244955 Ti\n0.000000 0.000000 0.755045 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.284951 O\n0.000000 0.500000 0.715049 O\n0.500000 0.000000 0.284951 O\n0.500000 0.000000 0.715049 O\n0.000000 0.000000 0.000000 O\n","nsites":10,"nelements":4,"elements":["K","Th","Ti","O"],"chemical_system":"K-O-Th-Ti","density":6.305175225298366,"density_atomic":0.08203365637302043,"volume":121.9011859538281,"volume_molar":7.341061006248877,"formula_full":"K1 Th1 Ti2 O6","formula_reduced":"KThTi2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.6121321266666664,"spacegroup":123},{"id":"jvasp-101439","created_at":"2022-09-04T14:36:33.457840Z","updated_at":"2022-09-04T14:36:33.457868Z","structure_string":"Ga1 Fe3 N1\n1.0\n3.770281 0.000000 -0.000000\n-0.000000 3.770281 0.000000\n0.000000 0.000000 3.770281\nGa Fe N\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Ga","Fe","N"],"chemical_system":"Fe-Ga-N","density":7.785014362812861,"density_atomic":0.09329295425836247,"volume":53.594615367771105,"volume_molar":6.455086354455535,"formula_full":"Ga1 Fe3 N1","formula_reduced":"GaFe3N","formula_anonymous":"ABC3","energy_above_hull":3.1548384149999995,"spacegroup":221},{"id":"jvasp-10144","created_at":"2022-09-04T14:36:40.205857Z","updated_at":"2022-09-04T14:36:40.205884Z","structure_string":"Nb2 Ga2 O8\n1.0\n3.838277 0.000000 0.000000\n-1.919138 6.022192 -1.964160\n0.000000 0.012255 6.716261\nNb Ga O\n2 2 8\ndirect\n0.101612 0.207039 0.232201 Nb\n0.894573 0.792960 0.767798 Nb\n0.195126 0.394064 0.816105 Ga\n0.801063 0.605934 0.183894 Ga\n0.861319 0.726451 0.482671 O\n0.134867 0.273548 0.517329 O\n0.943219 0.890254 0.132943 O\n0.052964 0.109744 0.867057 O\n0.257000 0.517811 0.145377 O\n0.739189 0.482188 0.854623 O\n0.358992 0.721798 0.797348 O\n0.637194 0.278201 0.202651 O\n","nsites":12,"nelements":3,"elements":["Nb","Ga","O"],"chemical_system":"Ga-Nb-O","density":4.845223846452857,"density_atomic":0.07725104935113526,"volume":155.33769574385272,"volume_molar":7.795545575862785,"formula_full":"Nb2 Ga2 O8","formula_reduced":"NbGaO4","formula_anonymous":"ABC4","energy_above_hull":2.3143242875000007,"spacegroup":12},{"id":"jvasp-101440","created_at":"2022-09-04T14:36:32.045125Z","updated_at":"2022-09-04T14:36:32.045154Z","structure_string":"Zr1 Ti1 Pb2 O6\n1.0\n4.997289 -0.009077 2.961506\n1.683077 4.705340 2.961506\n-0.012912 -0.009077 5.808893\nZr Ti Pb O\n1 1 2 6\ndirect\n0.012374 0.012374 0.012374 Zr\n0.512536 0.512534 0.512535 Ti\n0.778111 0.778109 0.778111 Pb\n0.280497 0.280496 0.280497 Pb\n0.744696 0.744694 0.245306 O\n0.259546 0.259544 0.730477 O\n0.245306 0.744694 0.744695 O\n0.730478 0.259544 0.259546 O\n0.744696 0.245304 0.744695 O\n0.259546 0.730477 0.259545 O\n","nsites":10,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.875240706982779,"density_atomic":0.07302036663485936,"volume":136.94809353677056,"volume_molar":8.247206960920783,"formula_full":"Zr1 Ti1 Pb2 O6","formula_reduced":"ZrTi(PbO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.5070305473333327,"spacegroup":160},{"id":"jvasp-101441","created_at":"2022-09-04T14:36:34.352429Z","updated_at":"2022-09-04T14:36:34.352454Z","structure_string":"Zr1 Al6 Mo1\n1.0\n3.887338 0.000000 0.000000\n0.000000 3.887338 0.000000\n0.000000 0.000000 8.708795\nZr Al Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.242964 Al\n0.500000 0.000000 0.757035 Al\n0.500000 0.000000 0.242964 Al\n0.000000 0.500000 0.757035 Al\n0.000000 0.000000 0.000000 Mo\n","nsites":8,"nelements":3,"elements":["Zr","Al","Mo"],"chemical_system":"Al-Mo-Zr","density":4.404312089794068,"density_atomic":0.06078932372187912,"volume":131.60205625253013,"volume_molar":9.90657633822718,"formula_full":"Zr1 Al6 Mo1","formula_reduced":"ZrAl6Mo","formula_anonymous":"ABC6","energy_above_hull":2.9279759000000003,"spacegroup":123},{"id":"jvasp-101442","created_at":"2022-09-04T14:36:32.341990Z","updated_at":"2022-09-04T14:36:32.342019Z","structure_string":"Zr1 In1 Au2\n1.0\n3.292893 0.000000 -0.000000\n-0.000000 3.292893 -0.000000\n0.000000 0.000000 7.516439\nZr In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 In\n-0.000000 0.000000 0.738873 Au\n-0.000000 0.000000 0.261127 Au\n","nsites":4,"nelements":3,"elements":["Zr","In","Au"],"chemical_system":"Au-In-Zr","density":12.224046033997446,"density_atomic":0.04907865092162676,"volume":81.50183277017052,"volume_molar":12.27038772849869,"formula_full":"Zr1 In1 Au2","formula_reduced":"ZrInAu2","formula_anonymous":"ABC2","energy_above_hull":1.0637924025000003,"spacegroup":123}]}