{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3519","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3517","results":[{"id":"jvasp-59896","created_at":"2022-09-04T14:37:02.731851Z","updated_at":"2022-09-04T14:37:02.731874Z","structure_string":"Y2 Co4 S8\n1.0\n6.887297 -0.120065 -0.177575\n-3.272315 -6.102641 0.055693\n-3.292316 1.537139 -5.894911\nY Co S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500001 Y\n-0.000000 -0.000000 0.500000 Co\n0.500001 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.063385 0.775072 0.319156 S\n0.009730 0.742475 0.727471 S\n0.436624 0.180850 0.724941 S\n0.509750 0.227472 0.242482 S\n0.563378 0.819151 0.275061 S\n0.990271 0.257526 0.272530 S\n0.490251 0.772529 0.757519 S\n0.936616 0.224929 0.680845 S\n","nsites":14,"nelements":3,"elements":["Y","Co","S"],"chemical_system":"Co-S-Y","density":4.380985304021266,"density_atomic":0.055123164039966366,"volume":253.97671276361194,"volume_molar":10.92488224303257,"formula_full":"Y2 Co4 S8","formula_reduced":"Y(CoS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.6464638928571427,"spacegroup":15},{"id":"jvasp-8347","created_at":"2022-09-04T14:37:02.772755Z","updated_at":"2022-09-04T14:37:02.772785Z","structure_string":"Ca1 Ni1 F6\n1.0\n4.568630 0.119713 3.092164\n1.703358 4.240905 3.092164\n0.172187 0.119713 5.514001\nCa Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ni\n0.380814 0.043742 0.799102 F\n0.043743 0.799103 0.380812 F\n0.200899 0.619187 0.956256 F\n0.956258 0.200897 0.619186 F\n0.619187 0.956258 0.200896 F\n0.799102 0.380813 0.043742 F\n","nsites":8,"nelements":3,"elements":["Ca","Ni","F"],"chemical_system":"Ca-F-Ni","density":3.4483301268055033,"density_atomic":0.07808291730473337,"volume":102.45518835801799,"volume_molar":7.7124945735537205,"formula_full":"Ca1 Ni1 F6","formula_reduced":"CaNiF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-15429","created_at":"2022-09-04T14:37:02.811091Z","updated_at":"2022-09-04T14:37:02.811107Z","structure_string":"Zr4 Al2 N2\n1.0\n1.631479 -2.825803 -0.000000\n1.631479 2.825803 0.000000\n-0.000000 -0.000000 14.410744\nZr Al N\n4 2 2\ndirect\n0.666667 0.333334 0.911334 Zr\n0.333334 0.666667 0.411334 Zr\n0.333334 0.666667 0.088666 Zr\n0.666667 0.333334 0.588666 Zr\n0.666667 0.333334 0.250000 Al\n0.333334 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n","nsites":8,"nelements":3,"elements":["Zr","Al","N"],"chemical_system":"Al-N-Zr","density":5.584611111162118,"density_atomic":0.06020744785828229,"volume":132.87392647551826,"volume_molar":10.002318607118271,"formula_full":"Zr4 Al2 N2","formula_reduced":"Zr2AlN","formula_anonymous":"ABC2","energy_above_hull":3.5610087625,"spacegroup":194},{"id":"jvasp-79300","created_at":"2022-09-04T14:37:02.843586Z","updated_at":"2022-09-04T14:37:02.843607Z","structure_string":"Li1 Cu1 S2\n1.0\n-2.380881 -3.232623 0.852616\n1.637097 -2.995690 0.040446\n-1.188213 -0.568449 5.843399\nLi Cu S\n1 1 2\ndirect\n0.999406 0.501478 0.000820 Li\n0.999438 0.501375 0.500769 Cu\n0.744701 0.128711 0.763921 S\n0.254149 0.874059 0.237625 S\n","nsites":4,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":3.2456107061288395,"density_atomic":0.058077433106443865,"volume":68.87356734015485,"volume_molar":10.369157929143782,"formula_full":"Li1 Cu1 S2","formula_reduced":"LiCuS2","formula_anonymous":"ABC2","energy_above_hull":0.8604401125,"spacegroup":12},{"id":"jvasp-1585","created_at":"2022-09-04T14:37:02.854455Z","updated_at":"2022-09-04T14:37:02.854472Z","structure_string":"K1 Tl1 O2\n1.0\n3.331962 -0.018111 5.491857\n1.521965 2.964106 5.491857\n-0.029840 -0.018111 6.423517\nK Tl O\n1 1 2\ndirect\n0.499999 0.500001 0.500001 K\n0.000000 0.000000 0.000000 Tl\n0.733175 0.733179 0.733180 O\n0.266822 0.266823 0.266823 O\n","nsites":4,"nelements":3,"elements":["K","Tl","O"],"chemical_system":"K-O-Tl","density":7.115760000972654,"density_atomic":0.06222164387019016,"volume":64.2863118233423,"volume_molar":9.678530468535492,"formula_full":"K1 Tl1 O2","formula_reduced":"KTlO2","formula_anonymous":"ABC2","energy_above_hull":0.601490875,"spacegroup":166},{"id":"jvasp-7644","created_at":"2022-09-04T14:37:02.863192Z","updated_at":"2022-09-04T14:37:02.863210Z","structure_string":"K1 Cd1 F3\n1.0\n4.421621 0.000000 -0.000000\n-0.000000 4.421621 -0.000000\n0.000000 0.000000 4.421621\nK Cd F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n","nsites":5,"nelements":3,"elements":["K","Cd","F"],"chemical_system":"Cd-F-K","density":4.005161264638174,"density_atomic":0.057839624084768296,"volume":86.44592835997906,"volume_molar":10.4117909742534,"formula_full":"K1 Cd1 F3","formula_reduced":"KCdF3","formula_anonymous":"ABC3","energy_above_hull":0.007052,"spacegroup":221},{"id":"jvasp-8450","created_at":"2022-09-04T14:37:07.275389Z","updated_at":"2022-09-04T14:37:07.275414Z","structure_string":"Dy2 Cu2 Sb4\n1.0\n4.314349 0.000000 0.000000\n0.000000 4.314349 -0.000000\n0.000000 0.000000 9.849097\nDy Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.750844 Dy\n0.000000 0.500000 0.249156 Dy\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.337416 Sb\n0.000000 0.500000 0.662584 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n","nsites":8,"nelements":3,"elements":["Dy","Cu","Sb"],"chemical_system":"Cu-Dy-Sb","density":8.506458248476276,"density_atomic":0.04363781786508408,"volume":183.32722375655356,"volume_molar":13.80027933252477,"formula_full":"Dy2 Cu2 Sb4","formula_reduced":"DyCuSb2","formula_anonymous":"ABC2","energy_above_hull":0.8988822875000001,"spacegroup":129},{"id":"jvasp-8684","created_at":"2022-09-04T14:37:02.893319Z","updated_at":"2022-09-04T14:37:02.893340Z","structure_string":"Mg2 Al2 Se5\n1.0\n1.950178 -3.377806 0.000000\n1.950178 3.377806 -0.000000\n0.000000 0.000000 16.075288\nMg Al Se\n2 2 5\ndirect\n0.333333 0.666668 0.400655 Mg\n0.666668 0.333333 0.599345 Mg\n0.333333 0.666668 0.830932 Al\n0.666668 0.333333 0.169068 Al\n0.666668 0.333333 0.897273 Se\n0.333333 0.666668 0.102727 Se\n0.666668 0.333333 0.312546 Se\n0.333333 0.666668 0.687454 Se\n-0.000000 -0.000000 0.500000 Se\n","nsites":9,"nelements":3,"elements":["Mg","Al","Se"],"chemical_system":"Al-Mg-Se","density":3.8997220762820097,"density_atomic":0.04249568124538802,"volume":211.7862271234151,"volume_molar":14.171183008517064,"formula_full":"Mg2 Al2 Se5","formula_reduced":"Mg2Al2Se5","formula_anonymous":"A2B2C5","energy_above_hull":1.0104700592592593,"spacegroup":164},{"id":"jvasp-107486","created_at":"2022-09-04T14:37:02.757360Z","updated_at":"2022-09-04T14:37:02.757388Z","structure_string":"K2 Pd1 Br6\n1.0\n6.271853 -0.000000 3.621056\n2.090618 5.913160 3.621056\n-0.000000 -0.000000 7.242113\nK Pd Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Pd\n0.755239 0.244761 0.244762 Br\n0.244761 0.755239 0.755239 Br\n0.244761 0.755239 0.244762 Br\n0.755239 0.244761 0.755239 Br\n0.244761 0.244761 0.755239 Br\n0.755239 0.755239 0.244762 Br\n","nsites":9,"nelements":3,"elements":["K","Pd","Br"],"chemical_system":"Br-K-Pd","density":4.10547046995046,"density_atomic":0.03350901881322935,"volume":268.58440857858847,"volume_molar":17.971701271129014,"formula_full":"K2 Pd1 Br6","formula_reduced":"K2PdBr6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-3072","created_at":"2022-09-04T14:37:02.766280Z","updated_at":"2022-09-04T14:37:02.766302Z","structure_string":"Li2 Be2 P2\n1.0\n3.612461 0.000000 0.000000\n0.000000 3.612461 0.000000\n0.000000 0.000000 5.987335\nLi Be P\n2 2 2\ndirect\n0.500000 0.000000 0.354968 Li\n0.000000 0.500000 0.645033 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.781136 P\n0.000000 0.500000 0.218865 P\n","nsites":6,"nelements":3,"elements":["Li","Be","P"],"chemical_system":"Be-Li-P","density":1.994625988921438,"density_atomic":0.07679118294805323,"volume":78.13397019888087,"volume_molar":7.8422294445884315,"formula_full":"Li2 Be2 P2","formula_reduced":"LiBeP","formula_anonymous":"ABC","energy_above_hull":1.4098772,"spacegroup":129},{"id":"jvasp-8387","created_at":"2022-09-04T14:37:02.768804Z","updated_at":"2022-09-04T14:37:02.768813Z","structure_string":"Te1 W1 O6\n1.0\n5.307237 -0.136550 0.094685\n-2.774320 4.526503 -0.095114\n-2.531336 -1.464748 4.139442\nTe W O\n1 1 6\ndirect\n-0.000831 0.541180 0.500465 Te\n-0.000838 0.041175 0.000458 W\n0.500348 0.790581 0.635354 O\n0.497992 0.291769 0.365557 O\n0.882384 0.676073 0.134185 O\n0.113784 0.907510 0.749918 O\n0.884575 0.174855 0.251015 O\n0.115942 0.406286 0.866746 O\n","nsites":8,"nelements":3,"elements":["Te","W","O"],"chemical_system":"O-Te-W","density":6.863654006248594,"density_atomic":0.08115895500323694,"volume":98.57199368425736,"volume_molar":7.42018026200536,"formula_full":"Te1 W1 O6","formula_reduced":"TeWO6","formula_anonymous":"ABC6","energy_above_hull":3.1992123458333337,"spacegroup":148},{"id":"jvasp-14305","created_at":"2022-09-04T14:37:02.771755Z","updated_at":"2022-09-04T14:37:02.771778Z","structure_string":"Np4 In2 Ni4\n1.0\n7.254501 -0.000000 -0.000000\n-0.000000 7.254501 -0.000000\n-0.000000 -0.000000 3.714256\nNp In Ni\n4 2 4\ndirect\n0.333005 0.833005 0.500001 Np\n0.833005 0.666995 0.500001 Np\n0.166995 0.333005 0.500001 Np\n0.666995 0.166995 0.500001 Np\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.370591 0.129409 0.000000 Ni\n0.870591 0.370591 0.000000 Ni\n0.129409 0.629409 0.000000 Ni\n0.629409 0.870591 0.000000 Ni\n","nsites":10,"nelements":3,"elements":["Np","In","Ni"],"chemical_system":"In-Ni-Np","density":11.998386146692075,"density_atomic":0.05115794334248635,"volume":195.47306530782802,"volume_molar":11.77166314072413,"formula_full":"Np4 In2 Ni4","formula_reduced":"Np2InNi2","formula_anonymous":"AB2C2","energy_above_hull":3.342180954000001,"spacegroup":127}]}