{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4342","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4340","results":[{"id":"jvasp-86560","created_at":"2022-09-04T14:35:50.700484Z","updated_at":"2022-09-04T14:35:50.700514Z","structure_string":"Mn2 Cl2 O6\n1.0\n4.900191 0.000001 -0.000040\n-0.000038 5.715135 -2.132731\n0.000008 -0.125351 6.098814\nMn Cl O\n2 2 6\ndirect\n0.407540 0.672668 0.327334 Mn\n0.907542 0.327329 0.672662 Mn\n0.282758 0.870928 0.129118 Cl\n0.782751 0.129083 0.870879 Cl\n0.291572 0.793736 0.587943 O\n0.291565 0.412060 0.206236 O\n0.791558 0.206259 0.412057 O\n0.732370 0.670122 0.329908 O\n0.791571 0.587937 0.793756 O\n0.232373 0.329884 0.670106 O\n","nsites":10,"nelements":3,"elements":["Mn","Cl","O"],"chemical_system":"Cl-Mn-O","density":2.711692223245348,"density_atomic":0.059000944299624575,"volume":169.4888127419959,"volume_molar":10.206854875775809,"formula_full":"Mn2 Cl2 O6","formula_reduced":"MnClO3","formula_anonymous":"ABC3","energy_above_hull":2.261332361775862,"spacegroup":36},{"id":"jvasp-43213","created_at":"2022-09-04T14:35:50.697922Z","updated_at":"2022-09-04T14:35:50.697942Z","structure_string":"Li2 Mn1 Cu1 O4\n1.0\n5.091620 -0.184290 0.000000\n2.062640 4.658763 0.000000\n-3.577131 -2.237237 2.856128\nLi Mn Cu O\n2 1 1 4\ndirect\n0.250000 0.749999 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Cu\n0.507428 0.007428 0.500000 O\n0.225177 0.225177 -0.000000 O\n0.992572 0.492572 0.500000 O\n0.774823 0.774822 -0.000000 O\n","nsites":8,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.7369795649859,"density_atomic":0.11622011896325063,"volume":68.8348977041543,"volume_molar":5.181668039682726,"formula_full":"Li2 Mn1 Cu1 O4","formula_reduced":"Li2MnCuO4","formula_anonymous":"ABC2D4","energy_above_hull":1.9489102114224133,"spacegroup":119},{"id":"jvasp-74031","created_at":"2022-09-04T14:35:50.694731Z","updated_at":"2022-09-04T14:35:50.694755Z","structure_string":"Be1 Cd1 Cu2\n1.0\n2.924846 0.000000 0.000000\n0.000000 2.924846 -0.000000\n0.000000 -0.000000 6.200465\nBe Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.436654 Be\n0.500001 0.500001 0.739016 Cd\n0.000000 0.000000 0.043556 Cu\n0.500001 0.500001 0.280774 Cu\n","nsites":4,"nelements":3,"elements":["Be","Cd","Cu"],"chemical_system":"Be-Cd-Cu","density":7.779859493896818,"density_atomic":0.07541013567768243,"volume":53.04326751375674,"volume_molar":7.985850583454457,"formula_full":"Be1 Cd1 Cu2","formula_reduced":"BeCdCu2","formula_anonymous":"ABC2","energy_above_hull":2.7499999999999747e-05,"spacegroup":99},{"id":"jvasp-63554","created_at":"2022-09-04T14:35:50.690076Z","updated_at":"2022-09-04T14:35:50.690102Z","structure_string":"Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842629 0.003699\n7.642611 0.000000 0.000000\n0.000000 -0.030760 -9.706472\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991970 0.393721 0.836444 Ca\n0.008030 0.893721 0.663555 Ca\n0.008030 0.606279 0.163555 Ca\n0.991970 0.106279 0.336444 Ca\n0.529269 0.732425 0.915931 Si\n0.470731 0.232425 0.584068 Si\n0.470731 0.267575 0.084069 Si\n0.529269 0.767575 0.415931 Si\n0.428425 0.911363 0.159020 B\n0.571575 0.411363 0.340980 B\n0.571575 0.088637 0.840979 B\n0.428425 0.588637 0.659020 B\n0.809999 0.535134 0.577354 H\n0.190001 0.035134 0.922646 H\n0.809999 0.964866 0.077354 H\n0.190001 0.464866 0.422646 H\n0.678288 0.335251 0.211212 O\n0.261007 0.413739 0.336696 O\n0.738994 0.913739 0.163304 O\n0.687385 0.588984 0.354286 O\n0.312615 0.088984 0.145714 O\n0.312615 0.411016 0.645714 O\n0.687385 0.911015 0.854286 O\n0.321712 0.835251 0.288788 O\n0.678288 0.164749 0.711212 O\n0.241711 0.095460 0.535986 O\n0.325914 0.697578 0.542353 O\n0.674086 0.197578 0.957647 O\n0.674086 0.302422 0.457647 O\n0.325914 0.802422 0.042353 O\n0.758289 0.904540 0.464013 O\n0.241711 0.404540 0.035986 O\n0.261007 0.086261 0.836696 O\n0.758289 0.595460 0.964013 O\n0.321712 0.664749 0.788788 O\n0.738994 0.586261 0.663304 O\n","nsites":36,"nelements":5,"elements":["Ca","Si","B","H","O"],"chemical_system":"B-Ca-H-O-Si","density":2.95794403426852,"density_atomic":0.1002118760176359,"volume":359.2388590117253,"volume_molar":6.009408265084457,"formula_full":"Ca4 Si4 B4 H4 O20","formula_reduced":"CaSiBHO5","formula_anonymous":"ABCDE5","energy_above_hull":2.564916567037037,"spacegroup":14},{"id":"jvasp-92230","created_at":"2022-09-04T14:35:50.689560Z","updated_at":"2022-09-04T14:35:50.689592Z","structure_string":"Ru2 Cl6\n1.0\n6.067179 0.000000 -0.000000\n-3.033589 5.254330 0.000000\n-0.000000 -0.000000 5.673662\nRu Cl\n2 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000023 0.687252 0.750000 Cl\n0.687228 0.687252 0.250000 Cl\n0.312748 0.312772 0.750000 Cl\n0.687228 -0.000023 0.750000 Cl\n0.312748 -0.000023 0.250000 Cl\n0.000023 0.312772 0.250000 Cl\n","nsites":8,"nelements":2,"elements":["Ru","Cl"],"chemical_system":"Cl-Ru","density":3.80873672512605,"density_atomic":0.04423055346054207,"volume":180.87044755469256,"volume_molar":13.615341181231955,"formula_full":"Ru2 Cl6","formula_reduced":"RuCl3","formula_anonymous":"AB3","energy_above_hull":1.054790675625,"spacegroup":193},{"id":"jvasp-42641","created_at":"2022-09-04T14:35:50.685772Z","updated_at":"2022-09-04T14:35:50.685801Z","structure_string":"Li3 V2 Cr2 O8\n1.0\n5.828861 -0.001456 -0.035418\n-2.876616 5.100297 0.046160\n-2.940012 -1.682580 4.744516\nLi V Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.515675 0.736024 0.759920 O\n0.483982 0.722905 0.238988 O\n0.976206 0.736115 0.220335 O\n0.989070 0.746384 0.757398 O\n0.010929 0.253616 0.242602 O\n0.023794 0.263885 0.779666 O\n0.516018 0.277095 0.761012 O\n0.484325 0.263976 0.240081 O\n","nsites":15,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.183710689887483,"density_atomic":0.10654932407394364,"volume":140.77987007773248,"volume_molar":5.651974625217447,"formula_full":"Li3 V2 Cr2 O8","formula_reduced":"Li3V2Cr2O8","formula_anonymous":"A2B2C3D8","energy_above_hull":3.130412746666667,"spacegroup":12},{"id":"jvasp-64671","created_at":"2022-09-04T14:35:50.682276Z","updated_at":"2022-09-04T14:35:50.682295Z","structure_string":"Ba4 Li1 Ti1\n1.0\n0.000000 5.135485 5.135485\n5.135485 -0.000000 5.135485\n5.135485 5.135485 0.000000\nBa Li Ti\n4 1 1\ndirect\n0.122565 0.625811 0.625811 Ba\n0.625811 0.625811 0.625811 Ba\n0.625811 0.122565 0.625811 Ba\n0.625811 0.625811 0.122565 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n","nsites":6,"nelements":3,"elements":["Ba","Li","Ti"],"chemical_system":"Ba-Li-Ti","density":3.703352439533036,"density_atomic":0.02215015958769289,"volume":270.87840953226043,"volume_molar":27.187798517469968,"formula_full":"Ba4 Li1 Ti1","formula_reduced":"Ba4LiTi","formula_anonymous":"ABC4","energy_above_hull":0.7981570355555555,"spacegroup":216},{"id":"jvasp-15317","created_at":"2022-09-04T14:35:50.680643Z","updated_at":"2022-09-04T14:35:50.680667Z","structure_string":"Ce1 Si2 Rh2\n1.0\n3.840511 -0.000000 -1.431765\n-0.533770 3.803237 -1.431765\n-0.016336 -0.018788 5.822882\nCe Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.621606 0.621606 0.243210 Si\n0.378393 0.378394 0.756788 Si\n0.250000 0.750000 0.499999 Rh\n0.749999 0.250000 0.499999 Rh\n","nsites":5,"nelements":3,"elements":["Ce","Si","Rh"],"chemical_system":"Ce-Rh-Si","density":7.869678247245016,"density_atomic":0.05893129306437403,"volume":84.84456627378282,"volume_molar":10.218918416437376,"formula_full":"Ce1 Si2 Rh2","formula_reduced":"Ce(SiRh)2","formula_anonymous":"AB2C2","energy_above_hull":2.83314174,"spacegroup":139},{"id":"jvasp-67163","created_at":"2022-09-04T14:35:50.679509Z","updated_at":"2022-09-04T14:35:50.679544Z","structure_string":"Be2 Cr1 Br1\n1.0\n3.085412 0.000000 0.000000\n0.000000 3.085412 0.000000\n0.000000 0.000000 6.372425\nBe Cr Br\n2 1 1\ndirect\n0.000000 0.000000 0.019021 Be\n0.500000 0.500000 0.200395 Be\n0.500000 0.500000 0.852244 Cr\n0.000000 0.000000 0.428342 Br\n","nsites":4,"nelements":3,"elements":["Be","Cr","Br"],"chemical_system":"Be-Br-Cr","density":4.103841141350045,"density_atomic":0.06593696147796034,"volume":60.66400256155289,"volume_molar":9.133179062266803,"formula_full":"Be2 Cr1 Br1","formula_reduced":"Be2CrBr","formula_anonymous":"ABC2","energy_above_hull":2.23599092625,"spacegroup":99},{"id":"jvasp-68595","created_at":"2022-09-04T14:35:50.677842Z","updated_at":"2022-09-04T14:35:50.677868Z","structure_string":"Be1 Ni1 Ir1\n1.0\n1.322651 -2.290900 -0.000000\n1.322651 2.290900 0.000000\n-0.000000 0.000000 5.749434\nBe Ni Ir\n1 1 1\ndirect\n0.000000 0.000000 0.008387 Be\n0.666667 0.333332 0.305603 Ni\n0.333332 0.666667 0.686010 Ir\n","nsites":3,"nelements":3,"elements":["Be","Ni","Ir"],"chemical_system":"Be-Ir-Ni","density":12.387584345833128,"density_atomic":0.08610230329978757,"volume":34.84227349359888,"volume_molar":6.99416917922898,"formula_full":"Be1 Ni1 Ir1","formula_reduced":"BeNiIr","formula_anonymous":"ABC","energy_above_hull":2.167166533333333,"spacegroup":156},{"id":"jvasp-68401","created_at":"2022-09-04T14:35:50.672484Z","updated_at":"2022-09-04T14:35:50.672509Z","structure_string":"Be2 Mo1 Pd1\n1.0\n2.754214 0.000000 0.000000\n0.000000 2.754214 -0.000000\n0.000000 -0.000000 6.169731\nBe Mo Pd\n2 1 1\ndirect\n0.000000 0.000000 0.725924 Be\n0.000000 0.000000 0.274076 Be\n0.499999 0.499999 0.000000 Mo\n0.499999 0.499999 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Be","Mo","Pd"],"chemical_system":"Be-Mo-Pd","density":7.819307344734744,"density_atomic":0.08546698801547901,"volume":46.80169610371148,"volume_molar":7.046160043582352,"formula_full":"Be2 Mo1 Pd1","formula_reduced":"Be2MoPd","formula_anonymous":"ABC2","energy_above_hull":2.77213845,"spacegroup":123},{"id":"jvasp-88050","created_at":"2022-09-04T14:35:50.669391Z","updated_at":"2022-09-04T14:35:50.669417Z","structure_string":"Si3 O6\n1.0\n5.273615 0.017146 -0.695418\n-0.795361 5.213321 -0.695422\n0.014687 0.017149 5.319248\nSi O\n3 6\ndirect\n0.716509 0.283491 0.500000 Si\n0.499999 0.716510 0.283492 Si\n0.283491 0.499999 0.716510 Si\n0.308451 0.691549 0.500002 O\n0.499998 0.308451 0.691550 O\n0.691551 0.500000 0.308450 O\n0.000002 0.331956 0.668046 O\n0.668046 0.000001 0.331954 O\n0.331954 0.668044 -0.000002 O\n","nsites":9,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.043951862175685,"density_atomic":0.06145847996035475,"volume":146.4403285894097,"volume_molar":9.798714130067529,"formula_full":"Si3 O6","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.4056352000000003,"spacegroup":155}]}