{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=599","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=597","results":[{"id":"jvasp-92495","created_at":"2022-09-04T14:36:06.338675Z","updated_at":"2022-09-04T14:36:06.338698Z","structure_string":"Ce1 B1 Pt3\n1.0\n3.977047 0.000000 0.000000\n0.000000 3.977047 -0.000000\n0.000000 0.000000 5.207652\nCe B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.987911 Ce\n0.500000 0.500000 0.721956 B\n0.500000 0.000000 0.524158 Pt\n0.000000 0.500000 0.524158 Pt\n0.500000 0.500000 0.129816 Pt\n","nsites":5,"nelements":3,"elements":["Ce","B","Pt"],"chemical_system":"B-Ce-Pt","density":14.841203511869372,"density_atomic":0.060702503485680834,"volume":82.3689257096201,"volume_molar":9.920745297466302,"formula_full":"Ce1 B1 Pt3","formula_reduced":"CeBPt3","formula_anonymous":"ABC3","energy_above_hull":2.9166204566666667,"spacegroup":99},{"id":"jvasp-44000","created_at":"2022-09-04T14:36:08.664261Z","updated_at":"2022-09-04T14:36:08.664288Z","structure_string":"Li2 Mn2 F6\n1.0\n2.570370 -4.452012 0.000000\n2.570370 4.452012 0.000000\n-0.000000 0.000000 4.791313\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.568364 Li\n0.000000 0.000000 0.068364 Li\n0.666667 0.333333 0.068464 Mn\n0.333333 0.666667 0.568464 Mn\n0.309357 -0.000118 0.318290 F\n0.690526 0.690643 0.318290 F\n-0.000118 0.690526 0.818290 F\n0.000119 0.309474 0.318290 F\n0.309474 0.309357 0.818290 F\n0.690643 0.000119 0.818290 F\n","nsites":10,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.6002312018006353,"density_atomic":0.09119341755805178,"volume":109.65703740222493,"volume_molar":6.6037011456078325,"formula_full":"Li2 Mn2 F6","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy_above_hull":0.4169616177758619,"spacegroup":182},{"id":"jvasp-106169","created_at":"2022-09-04T14:36:02.225207Z","updated_at":"2022-09-04T14:36:02.225233Z","structure_string":"Co2 C2 O6\n1.0\n4.037427 0.000134 -2.330836\n-1.345950 4.914926 -2.331092\n-0.000158 0.000091 4.661906\nCo C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.749999 0.250001 0.499998 C\n0.250001 0.749999 0.500002 C\n0.471869 0.250001 0.499999 O\n0.528131 0.749999 0.500002 O\n0.749997 0.250004 0.221869 O\n0.028128 0.249997 0.778126 O\n0.250003 0.749996 0.778132 O\n0.971872 0.750003 0.221875 O\n","nsites":10,"nelements":3,"elements":["Co","C","O"],"chemical_system":"C-Co-O","density":4.270007982915054,"density_atomic":0.10809709181734417,"volume":92.5094267743797,"volume_molar":5.571047896622273,"formula_full":"Co2 C2 O6","formula_reduced":"CoCO3","formula_anonymous":"ABC3","energy_above_hull":3.29072828,"spacegroup":167},{"id":"jvasp-93245","created_at":"2022-09-04T14:36:07.685154Z","updated_at":"2022-09-04T14:36:07.685186Z","structure_string":"Y1 Ag1 O3\n1.0\n4.394743 -0.000000 0.000000\n-0.000000 4.394743 0.000000\n-0.000000 -0.000000 4.394743\nY Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Y","Ag","O"],"chemical_system":"Ag-O-Y","density":4.788624997268516,"density_atomic":0.05890735937258276,"volume":84.8790380905641,"volume_molar":10.223070299095571,"formula_full":"Y1 Ag1 O3","formula_reduced":"YAgO3","formula_anonymous":"ABC3","energy_above_hull":1.839198642,"spacegroup":221},{"id":"jvasp-93214","created_at":"2022-09-04T14:35:58.481908Z","updated_at":"2022-09-04T14:35:58.481939Z","structure_string":"Ce1 Ga1 O3\n1.0\n3.883079 0.000000 0.000000\n0.000000 3.883079 0.000000\n0.000000 0.000000 3.882928\nCe Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ce","Ga","O"],"chemical_system":"Ce-Ga-O","density":7.312786323060376,"density_atomic":0.0854000675629646,"volume":58.547963048314344,"volume_molar":7.051681493764553,"formula_full":"Ce1 Ga1 O3","formula_reduced":"CeGaO3","formula_anonymous":"ABC3","energy_above_hull":1.366745665,"spacegroup":221},{"id":"jvasp-3690","created_at":"2022-09-04T14:36:05.270501Z","updated_at":"2022-09-04T14:36:05.270529Z","structure_string":"K1 Mg1 H3\n1.0\n3.995195 0.000000 0.000000\n0.000000 3.995195 0.000000\n0.000000 0.000000 3.995195\nK Mg H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 Mg\n0.499999 0.000000 0.499999 H\n0.499999 0.499999 0.000000 H\n0.000000 0.499999 0.499999 H\n","nsites":5,"nelements":3,"elements":["K","Mg","H"],"chemical_system":"H-K-Mg","density":1.7297389968871175,"density_atomic":0.07840722073239983,"volume":63.76963694536203,"volume_molar":7.680594597981331,"formula_full":"K1 Mg1 H3","formula_reduced":"KMgH3","formula_anonymous":"ABC3","energy_above_hull":1.1868894099999996,"spacegroup":221},{"id":"jvasp-92576","created_at":"2022-09-04T14:36:03.525924Z","updated_at":"2022-09-04T14:36:03.525950Z","structure_string":"Ce1 Si3 Ir1\n1.0\n4.264910 0.000000 0.000000\n0.000000 4.264910 0.000000\n-2.132455 -2.132455 4.909828\nCe Si Ir\n1 3 1\ndirect\n-0.000001 -0.000001 -0.000001 Ce\n0.417036 0.417036 0.834071 Si\n0.767037 0.267037 0.534072 Si\n0.267037 0.767037 0.534072 Si\n0.657894 0.657894 0.315789 Ir\n","nsites":5,"nelements":3,"elements":["Ce","Si","Ir"],"chemical_system":"Ce-Ir-Si","density":7.745891276767472,"density_atomic":0.05598658583145997,"volume":89.30710679611403,"volume_molar":10.756399359891027,"formula_full":"Ce1 Si3 Ir1","formula_reduced":"CeSi3Ir","formula_anonymous":"ABC3","energy_above_hull":3.29835848,"spacegroup":107},{"id":"jvasp-98510","created_at":"2022-09-04T14:36:06.030818Z","updated_at":"2022-09-04T14:36:06.030838Z","structure_string":"K4 N4 O12\n1.0\n5.430182 -0.000000 0.000000\n0.000000 6.121955 0.000000\n0.000000 0.000000 9.113376\nK N O\n4 4 12\ndirect\n0.750000 0.742046 0.582850 K\n0.750000 0.242046 0.917151 K\n0.250000 0.757953 0.082849 K\n0.250000 0.257954 0.417151 K\n0.250000 0.901753 0.742890 N\n0.750000 0.598246 0.242890 N\n0.250000 0.401754 0.757111 N\n0.750000 0.098246 0.257111 N\n0.952989 0.597461 0.312911 O\n0.047010 0.902537 0.812911 O\n0.547010 0.097462 0.187089 O\n0.750000 0.604479 0.103362 O\n0.750000 0.104480 0.396638 O\n0.250000 0.895520 0.603362 O\n0.547010 0.597461 0.312911 O\n0.047010 0.402538 0.687089 O\n0.952989 0.097462 0.187089 O\n0.452990 0.902537 0.812911 O\n0.452990 0.402538 0.687089 O\n0.250000 0.395520 0.896638 O\n","nsites":20,"nelements":3,"elements":["K","N","O"],"chemical_system":"K-N-O","density":2.2166145663135937,"density_atomic":0.06601554121738908,"volume":302.9589643768886,"volume_molar":9.122307639907245,"formula_full":"K4 N4 O12","formula_reduced":"KNO3","formula_anonymous":"ABC3","energy_above_hull":2.22743435,"spacegroup":62},{"id":"jvasp-16933","created_at":"2022-09-04T14:35:54.407124Z","updated_at":"2022-09-04T14:35:54.407150Z","structure_string":"Ti1 Al1 O3\n1.0\n3.860321 0.000000 -0.000000\n0.000000 3.860321 0.000000\n0.000000 0.000000 3.860472\nTi Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ti","Al","O"],"chemical_system":"Al-O-Ti","density":3.545891829616571,"density_atomic":0.08691260333167838,"volume":57.52905572185953,"volume_molar":6.92896142693843,"formula_full":"Ti1 Al1 O3","formula_reduced":"TiAlO3","formula_anonymous":"ABC3","energy_above_hull":2.276760326666667,"spacegroup":221},{"id":"jvasp-96598","created_at":"2022-09-04T14:36:03.477371Z","updated_at":"2022-09-04T14:36:03.477390Z","structure_string":"Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n","nsites":30,"nelements":3,"elements":["Rb","Mg","Cl"],"chemical_system":"Cl-Mg-Rb","density":2.8286617813160686,"density_atomic":0.039407896976299865,"volume":761.2687380410624,"volume_molar":15.281558322236148,"formula_full":"Rb6 Mg6 Cl18","formula_reduced":"RbMgCl3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-92281","created_at":"2022-09-04T14:36:07.780120Z","updated_at":"2022-09-04T14:36:07.780140Z","structure_string":"Ti1 Pb1 O3\n1.0\n3.959631 -0.000000 0.000000\n0.000000 3.959631 0.000000\n-0.000000 -0.000000 3.959631\nTi Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ti","Pb","O"],"chemical_system":"O-Pb-Ti","density":8.106269179774896,"density_atomic":0.08053893032905844,"volume":62.08177808634243,"volume_molar":7.477304125340751,"formula_full":"Ti1 Pb1 O3","formula_reduced":"TiPbO3","formula_anonymous":"ABC3","energy_above_hull":1.9081179306666665,"spacegroup":221},{"id":"jvasp-87167","created_at":"2022-09-04T14:36:06.094232Z","updated_at":"2022-09-04T14:36:06.094258Z","structure_string":"Er4 Ni4 O12\n1.0\n5.139714 0.000000 -0.005102\n0.000000 5.565810 0.000000\n0.007066 0.000000 7.320035\nEr Ni O\n4 4 12\ndirect\n0.977519 0.080507 0.249998 Er\n0.022481 0.919493 0.750003 Er\n0.477520 0.419493 0.749999 Er\n0.522481 0.580507 0.250002 Er\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.607794 0.032727 0.749997 O\n0.892206 0.532727 0.750004 O\n0.690147 0.305256 0.447898 O\n0.690148 0.305255 0.052101 O\n0.809851 0.805255 0.447900 O\n0.309852 0.694745 0.947900 O\n0.190149 0.194745 0.552101 O\n0.190148 0.194744 0.947898 O\n0.309853 0.694744 0.552103 O\n0.809852 0.805256 0.052103 O\n0.107794 0.467273 0.249997 O\n0.392206 0.967273 0.250004 O\n","nsites":20,"nelements":3,"elements":["Er","Ni","O"],"chemical_system":"Er-Ni-O","density":8.689613115788287,"density_atomic":0.09551005427858782,"volume":209.4020378384787,"volume_molar":6.305242736470825,"formula_full":"Er4 Ni4 O12","formula_reduced":"ErNiO3","formula_anonymous":"ABC3","energy_above_hull":1.56069458,"spacegroup":62}]}