{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4334","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4332","results":[{"id":"jvasp-92569","created_at":"2022-09-04T14:35:45.423712Z","updated_at":"2022-09-04T14:35:45.423735Z","structure_string":"Ni1 N1 F3\n1.0\n3.792967 0.000000 -0.000000\n-0.000000 3.792967 0.000000\n0.000000 0.000000 3.792967\nNi N F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":5,"nelements":3,"elements":["Ni","N","F"],"chemical_system":"F-N-Ni","density":3.946718714464079,"density_atomic":0.09162897147223645,"volume":54.567893971340695,"volume_molar":6.572310769443381,"formula_full":"Ni1 N1 F3","formula_reduced":"NiNF3","formula_anonymous":"ABC3","energy_above_hull":1.2506072995,"spacegroup":221},{"id":"jvasp-9257","created_at":"2022-09-04T14:38:12.373696Z","updated_at":"2022-09-04T14:38:12.373720Z","structure_string":"Sr2 Y1 Tl1 Cr2 O7\n1.0\n3.834749 0.000000 -0.000000\n0.000000 3.834749 -0.000000\n0.000000 0.000000 12.628830\nSr Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.194380 Sr\n0.500000 0.500000 0.805620 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.357324 Cr\n0.000000 0.000000 0.642676 Cr\n0.000000 0.500000 0.386705 O\n0.500000 0.000000 0.386705 O\n0.000000 0.500000 0.613295 O\n0.500000 0.000000 0.613295 O\n0.000000 0.000000 0.208089 O\n0.000000 0.000000 0.791911 O\n0.500000 0.500000 0.000000 O\n","nsites":13,"nelements":5,"elements":["Sr","Y","Tl","Cr","O"],"chemical_system":"Cr-O-Sr-Tl-Y","density":6.120634248495201,"density_atomic":0.07000133933378956,"volume":185.71073244772782,"volume_molar":8.60289362648397,"formula_full":"Sr2 Y1 Tl1 Cr2 O7","formula_reduced":"Sr2YTlCr2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.4164315361538464,"spacegroup":123},{"id":"jvasp-92571","created_at":"2022-09-04T14:35:48.458066Z","updated_at":"2022-09-04T14:35:48.458091Z","structure_string":"K2 Te2 Pd1\n1.0\n-0.000000 -0.000000 4.036526\n-5.392148 4.289584 2.018262\n-5.392148 -4.289584 2.018262\nK Te Pd\n2 2 1\ndirect\n0.720320 0.279680 0.279680 K\n0.279679 0.720320 0.720320 K\n0.500000 0.204151 0.795849 Te\n0.500000 0.795849 0.204151 Te\n0.000000 0.000000 0.000000 Pd\n","nsites":5,"nelements":3,"elements":["K","Te","Pd"],"chemical_system":"K-Pd-Te","density":3.911163612952118,"density_atomic":0.02677659031142461,"volume":186.7302722955984,"volume_molar":22.49031967834444,"formula_full":"K2 Te2 Pd1","formula_reduced":"K2Te2Pd","formula_anonymous":"AB2C2","energy_above_hull":0.2021114466666668,"spacegroup":71},{"id":"jvasp-92572","created_at":"2022-09-04T14:35:51.457171Z","updated_at":"2022-09-04T14:35:51.457196Z","structure_string":"Tb1 Si3 Rh1\n1.0\n4.206447 -0.000000 -0.000000\n-0.000000 4.206447 -0.000000\n-2.103222 -2.103222 4.897578\nTb Si Rh\n1 3 1\ndirect\n0.998671 0.998671 0.997338 Tb\n0.414810 0.414810 0.829619 Si\n0.763822 0.263822 0.527642 Si\n0.263822 0.763822 0.527642 Si\n0.652880 0.652880 0.305759 Rh\n","nsites":5,"nelements":3,"elements":["Tb","Si","Rh"],"chemical_system":"Rh-Si-Tb","density":6.631665600529847,"density_atomic":0.05769760688080911,"volume":86.65870683907096,"volume_molar":10.437418613289202,"formula_full":"Tb1 Si3 Rh1","formula_reduced":"TbSi3Rh","formula_anonymous":"ABC3","energy_above_hull":2.78118544,"spacegroup":107},{"id":"jvasp-92573","created_at":"2022-09-04T14:35:55.676343Z","updated_at":"2022-09-04T14:35:55.676374Z","structure_string":"Sm2 Bi1 O2\n1.0\n3.962539 -0.000000 0.000000\n-0.000000 3.962539 0.000000\n-1.981271 -1.981271 6.869360\nSm Bi O\n2 1 2\ndirect\n0.665561 0.665561 0.331123 Sm\n0.334439 0.334439 0.668877 Sm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sm","Bi","O"],"chemical_system":"Bi-O-Sm","density":8.339574937223396,"density_atomic":0.04635607193797143,"volume":107.8607351953903,"volume_molar":12.991050596474532,"formula_full":"Sm2 Bi1 O2","formula_reduced":"Sm2BiO2","formula_anonymous":"AB2C2","energy_above_hull":1.31077181,"spacegroup":139},{"id":"jvasp-92574","created_at":"2022-09-04T14:35:57.672568Z","updated_at":"2022-09-04T14:35:57.672603Z","structure_string":"Sr1 B2 N2\n1.0\n3.370411 1.992027 -0.724457\n3.370411 -1.992027 -0.724457\n0.802104 0.000000 -7.071352\nSr B N\n1 2 2\ndirect\n0.105112 0.894888 0.000001 Sr\n0.645767 0.435176 0.379560 B\n0.564823 0.354232 0.620441 B\n0.708955 0.498658 0.190697 N\n0.501341 0.291044 0.809304 N\n","nsites":5,"nelements":3,"elements":["Sr","B","N"],"chemical_system":"B-N-Sr","density":2.4602991308404825,"density_atomic":0.05397335071242088,"volume":92.63831009197193,"volume_molar":11.157618862847672,"formula_full":"Sr1 B2 N2","formula_reduced":"Sr(BN)2","formula_anonymous":"AB2C2","energy_above_hull":3.8178275953333327,"spacegroup":166},{"id":"jvasp-92575","created_at":"2022-09-04T14:36:00.810600Z","updated_at":"2022-09-04T14:36:00.810620Z","structure_string":"Th1 Si3 Ir1\n1.0\n4.311957 0.000000 0.000000\n0.000000 4.311957 0.000000\n-2.155979 -2.155979 4.879762\nTh Si Ir\n1 3 1\ndirect\n0.000316 0.000316 0.000630 Th\n0.410243 0.410243 0.820485 Si\n0.764132 0.264132 0.528264 Si\n0.264132 0.764132 0.528264 Si\n0.655179 0.655179 0.310356 Ir\n","nsites":5,"nelements":3,"elements":["Th","Si","Ir"],"chemical_system":"Ir-Si-Th","density":9.306844212994111,"density_atomic":0.05510899880172896,"volume":90.72928394124868,"volume_molar":10.927690378964144,"formula_full":"Th1 Si3 Ir1","formula_reduced":"ThSi3Ir","formula_anonymous":"ABC3","energy_above_hull":3.5554364999999994,"spacegroup":107},{"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-92577","created_at":"2022-09-04T14:36:05.976431Z","updated_at":"2022-09-04T14:36:05.976458Z","structure_string":"Ce1 Ge2 Au2\n1.0\n4.471327 -0.000000 -0.000000\n-0.000000 4.471327 -0.000000\n-2.235663 -2.235663 5.213899\nCe Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617347 0.617347 0.234692 Ge\n0.382655 0.382655 0.765308 Ge\n0.250001 0.750001 0.500000 Au\n0.750001 0.250001 0.500000 Au\n","nsites":5,"nelements":3,"elements":["Ce","Ge","Au"],"chemical_system":"Au-Ce-Ge","density":10.82165942863683,"density_atomic":0.047966112973173665,"volume":104.24025817552454,"volume_molar":12.554990151834993,"formula_full":"Ce1 Ge2 Au2","formula_reduced":"Ce(GeAu)2","formula_anonymous":"AB2C2","energy_above_hull":0.8897965079999999,"spacegroup":139},{"id":"jvasp-92578","created_at":"2022-09-04T14:36:09.331200Z","updated_at":"2022-09-04T14:36:09.331219Z","structure_string":"Tb2 Bi1 O2\n1.0\n3.892953 -0.000000 -0.000000\n0.000000 3.892953 -0.000000\n-1.946477 -1.946477 6.754681\nTb Bi O\n2 1 2\ndirect\n0.666930 0.666930 0.333862 Tb\n0.333068 0.333068 0.666138 Tb\n0.000000 0.000000 0.000000 Bi\n0.249999 0.749999 0.500000 O\n0.749999 0.249999 0.500000 O\n","nsites":5,"nelements":3,"elements":["Tb","Bi","O"],"chemical_system":"Bi-O-Tb","density":9.064953230175439,"density_atomic":0.04884350707952318,"volume":102.36775160021558,"volume_molar":12.32946018842427,"formula_full":"Tb2 Bi1 O2","formula_reduced":"Tb2BiO2","formula_anonymous":"AB2C2","energy_above_hull":1.25465962,"spacegroup":139},{"id":"jvasp-92579","created_at":"2022-09-04T14:36:10.618250Z","updated_at":"2022-09-04T14:36:10.618279Z","structure_string":"K5\n1.0\n-4.268445 0.000000 -4.266322\n4.268445 0.000000 -4.266322\n0.000000 -11.109484 0.000000\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.308991 K\n-0.000000 0.500000 0.308991 K\n-0.000000 0.500000 0.691009 K\n0.500000 -0.000000 0.691009 K\n","nsites":5,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8022870321127312,"density_atomic":0.012357277526069332,"volume":404.6198678836686,"volume_molar":48.73355597376111,"formula_full":"K5","formula_reduced":"K","formula_anonymous":"A","energy_above_hull":0.1080999999999998,"spacegroup":123},{"id":"jvasp-9258","created_at":"2022-09-04T14:38:11.642534Z","updated_at":"2022-09-04T14:38:11.642559Z","structure_string":"Sr2 Al1 Tl1 V2 O7\n1.0\n3.626187 -0.000000 0.000000\n0.000000 3.626187 -0.000000\n0.000000 0.000000 13.720047\nSr Al Tl V O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.807331 Sr\n0.500000 0.500000 0.179867 Sr\n0.500000 0.500000 0.501477 Al\n0.000000 0.000000 0.009121 Tl\n0.000000 0.000000 0.643016 V\n0.000000 0.000000 0.362134 V\n0.500000 0.000000 0.591215 O\n0.000000 0.500000 0.591215 O\n0.500000 0.000000 0.415804 O\n0.000000 0.500000 0.415804 O\n0.000000 0.000000 0.781808 O\n0.000000 0.000000 0.223300 O\n0.500000 0.500000 0.977877 O\n","nsites":13,"nelements":5,"elements":["Sr","Al","Tl","V","O"],"chemical_system":"Al-O-Sr-Tl-V","density":5.711148323323679,"density_atomic":0.07205885549523082,"volume":180.40808323496614,"volume_molar":8.35725285755971,"formula_full":"Sr2 Al1 Tl1 V2 O7","formula_reduced":"Sr2AlTlV2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.2357085323076924,"spacegroup":99}]}