{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4331","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4329","results":[{"id":"jvasp-7778","created_at":"2022-09-04T14:37:03.601312Z","updated_at":"2022-09-04T14:37:03.601338Z","structure_string":"Na4 C1 O4\n1.0\n5.090657 -0.099811 -1.782496\n-0.804657 4.520996 -2.551188\n-0.332825 -0.145540 5.255412\nNa C O\n4 1 4\ndirect\n0.466102 0.747950 0.682233 Na\n0.533897 0.065715 0.317765 Na\n0.881988 0.490064 0.263751 Na\n0.118012 0.226312 0.736247 Na\n-0.000000 0.774203 -0.000000 C\n0.110331 0.842132 0.831142 O\n0.889668 0.010988 0.168857 O\n0.215452 0.726258 0.227414 O\n0.784548 0.498843 0.772584 O\n","nsites":9,"nelements":3,"elements":["Na","C","O"],"chemical_system":"C-Na-O","density":2.4114238973526985,"density_atomic":0.07781118545940291,"volume":115.66460460489509,"volume_molar":7.739428109782471,"formula_full":"Na4 C1 O4","formula_reduced":"Na4CO4","formula_anonymous":"AB4C4","energy_above_hull":1.514562222222222,"spacegroup":5},{"id":"jvasp-52135","created_at":"2022-09-04T14:37:19.417423Z","updated_at":"2022-09-04T14:37:19.417452Z","structure_string":"Rb6 C5\n1.0\n3.837630 -6.646971 -0.000000\n3.837630 6.646971 0.000000\n-0.000000 -0.000000 7.733420\nRb C\n6 5\ndirect\n0.389072 0.389072 0.500000 Rb\n0.610927 0.000000 0.500000 Rb\n0.653579 0.653579 0.000000 Rb\n0.346421 0.000000 0.000000 Rb\n0.000000 0.346421 0.000000 Rb\n0.000000 0.610927 0.500000 Rb\n0.333333 0.666667 0.761704 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.238296 C\n0.666667 0.333333 0.761704 C\n0.333333 0.666667 0.238296 C\n","nsites":11,"nelements":2,"elements":["Rb","C"],"chemical_system":"C-Rb","density":2.4110673731599004,"density_atomic":0.027880734306135555,"volume":394.53767175634584,"volume_molar":21.599649040358102,"formula_full":"Rb6 C5","formula_reduced":"Rb6C5","formula_anonymous":"A5B6","energy_above_hull":2.8788736363636365,"spacegroup":189},{"id":"jvasp-113649","created_at":"2022-09-04T14:38:45.530436Z","updated_at":"2022-09-04T14:38:45.530463Z","structure_string":"Al1 H2 O2\n1.0\n2.911883 0.000000 -0.000000\n-1.455942 2.521765 0.000000\n-0.000000 -0.000000 5.721107\nAl H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666665 0.333333 0.357368 H\n0.333332 0.666666 0.642632 H\n0.333332 0.666666 0.835522 O\n0.666665 0.333333 0.164479 O\n","nsites":5,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.410978877755766,"density_atomic":0.1190176580573275,"volume":42.01057289828068,"volume_molar":5.0598716680337485,"formula_full":"Al1 H2 O2","formula_reduced":"Al(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.19427796,"spacegroup":164},{"id":"jvasp-43427","created_at":"2022-09-04T14:35:49.206443Z","updated_at":"2022-09-04T14:35:49.206468Z","structure_string":"K4 O2\n1.0\n0.000000 4.270734 0.246018\n8.165876 0.000000 0.000000\n0.000000 -1.912676 -3.831135\nK O\n4 2\ndirect\n0.000264 0.875848 0.998722 K\n0.333531 0.622525 0.665782 K\n0.666466 0.122524 0.334217 K\n-0.000266 0.375848 0.001276 K\n0.333087 0.251628 0.667772 O\n0.666911 0.751629 0.332226 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":2.4107485924576464,"density_atomic":0.04623720975127039,"volume":129.76561588116047,"volume_molar":13.024446744073998,"formula_full":"K4 O2","formula_reduced":"K2O","formula_anonymous":"AB2","energy_above_hull":0.0202066666666667,"spacegroup":186},{"id":"jvasp-34761","created_at":"2022-09-04T14:38:32.503473Z","updated_at":"2022-09-04T14:38:32.503506Z","structure_string":"K2 Cl2 O6\n1.0\n0.000000 4.630269 0.079100\n5.582849 0.000000 0.000000\n0.000000 -2.417216 -6.572535\nK Cl O\n2 2 6\ndirect\n0.643243 0.250000 0.291943 K\n0.356756 0.750000 0.708056 K\n0.879280 0.250000 0.828469 Cl\n0.120719 0.750000 0.171530 Cl\n0.143146 0.965972 0.304149 O\n0.856853 0.465972 0.695850 O\n0.856853 0.034028 0.695850 O\n0.143146 0.534028 0.304149 O\n0.407302 0.750000 0.118141 O\n0.592697 0.250000 0.881858 O\n","nsites":10,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":2.4106425366363244,"density_atomic":0.05923006084351322,"volume":168.83318803977193,"volume_molar":10.16737223335055,"formula_full":"K2 Cl2 O6","formula_reduced":"KClO3","formula_anonymous":"ABC3","energy_above_hull":1.3320490756666663,"spacegroup":11},{"id":"jvasp-121219","created_at":"2022-09-04T14:38:54.546270Z","updated_at":"2022-09-04T14:38:54.546298Z","structure_string":"Mg1 P1 O1\n1.0\n3.137165 1.515241 0.000000\n1.109158 5.600963 0.000000\n0.000000 0.000000 3.090989\nMg P O\n1 1 1\ndirect\n0.016392 -0.178585 0.000000 Mg\n-0.081947 0.417527 0.000000 P\n0.286591 0.053904 0.000000 O\n","nsites":3,"nelements":3,"elements":["Mg","P","O"],"chemical_system":"Mg-O-P","density":2.409741596015445,"density_atomic":0.06107818727752983,"volume":49.11737125347981,"volume_molar":9.859724114987769,"formula_full":"Mg1 P1 O1","formula_reduced":"MgPO","formula_anonymous":"ABC","energy_above_hull":0.9905826833333332,"spacegroup":25},{"id":"jvasp-90026","created_at":"2022-09-04T14:35:44.553557Z","updated_at":"2022-09-04T14:35:44.553585Z","structure_string":"V1 N2 Cl6\n1.0\n-4.649413 -4.649413 -0.000000\n-4.649413 -0.000000 -4.649413\n-0.000000 -4.649413 -4.649413\nV N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.756893 0.243106 0.243106 Cl\n0.756893 0.243106 0.756893 Cl\n0.756893 0.756893 0.243106 Cl\n0.243106 0.756893 0.756893 Cl\n0.243106 0.756893 0.243106 Cl\n0.243106 0.243106 0.756893 Cl\n","nsites":9,"nelements":3,"elements":["V","N","Cl"],"chemical_system":"Cl-N-V","density":2.409466013241051,"density_atomic":0.04477320019744455,"volume":201.01310516807058,"volume_molar":13.450324599186715,"formula_full":"V1 N2 Cl6","formula_reduced":"V(NCl3)2","formula_anonymous":"AB2C6","energy_above_hull":2.067128345,"spacegroup":225},{"id":"jvasp-101904","created_at":"2022-09-04T14:36:42.342338Z","updated_at":"2022-09-04T14:36:42.342355Z","structure_string":"Zn1 H4 C4 O4\n1.0\n5.061003 0.003169 0.001490\n2.527215 3.736602 1.776484\n-0.001419 -0.126348 6.556576\nZn H C O\n1 4 4 4\ndirect\n0.811078 0.859996 0.285677 Zn\n0.050839 0.244188 0.769207 H\n0.935563 0.101611 0.595739 H\n0.435195 0.475709 0.802167 H\n0.177263 0.618130 0.975625 H\n0.337105 0.120829 0.533854 C\n0.144141 0.049470 0.695781 C\n0.333673 0.670415 0.875598 C\n0.597865 0.599190 0.037534 C\n0.247542 0.436408 0.403511 O\n0.594084 0.850198 0.533845 O\n0.823928 0.283649 0.167815 O\n0.584061 0.869892 0.037607 O\n","nsites":13,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.4094243471646397,"density_atomic":0.10393839419184965,"volume":125.07408933030636,"volume_molar":5.793952087507069,"formula_full":"Zn1 H4 C4 O4","formula_reduced":"ZnH4(CO)4","formula_anonymous":"AB4C4D4","energy_above_hull":3.955601876923077,"spacegroup":5},{"id":"jvasp-99089","created_at":"2022-09-04T14:36:12.676182Z","updated_at":"2022-09-04T14:36:12.676212Z","structure_string":"K4 Mn2 P4 S12\n1.0\n6.186849 -0.040605 0.000000\n-1.527301 7.119927 0.000000\n0.000000 0.000000 12.142968\nK Mn P S\n4 2 4 12\ndirect\n0.778698 0.466923 0.688834 K\n0.721303 0.033078 0.188834 K\n0.221303 0.533078 0.311166 K\n0.278698 0.966923 0.811166 K\n0.500000 0.500001 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.484963 0.138683 0.463999 P\n0.015037 0.361318 0.963999 P\n0.515038 0.861318 0.536002 P\n0.984963 0.638684 0.036001 P\n0.784049 0.572353 0.170038 S\n0.715952 0.927649 0.670038 S\n0.179483 0.242047 0.079987 S\n0.320518 0.257953 0.579987 S\n0.820518 0.757954 0.920014 S\n0.806835 0.265304 0.436370 S\n0.306835 0.765304 0.063630 S\n0.193166 0.734697 0.563630 S\n0.693166 0.234697 0.936370 S\n0.284049 0.072352 0.329962 S\n0.679483 0.742048 0.420014 S\n0.215951 0.427648 0.829962 S\n","nsites":22,"nelements":4,"elements":["K","Mn","P","S"],"chemical_system":"K-Mn-P-S","density":2.4091373191104775,"density_atomic":0.04118742385327977,"volume":534.1436278794633,"volume_molar":14.621309605214494,"formula_full":"K4 Mn2 P4 S12","formula_reduced":"K2Mn(PS3)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.0985894764890283,"spacegroup":14},{"id":"jvasp-106491","created_at":"2022-09-04T14:37:01.189401Z","updated_at":"2022-09-04T14:37:01.189424Z","structure_string":"Ba1 Ca3\n1.0\n5.167814 -0.667914 -3.559923\n-1.804357 4.888425 -3.559923\n0.532282 0.667914 6.252681\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.500000 0.500001 0.000001 Ca\n","nsites":4,"nelements":2,"elements":["Ba","Ca"],"chemical_system":"Ba-Ca","density":2.4091251023962124,"density_atomic":0.02253150202102506,"volume":177.52922092221982,"volume_molar":26.72764893516862,"formula_full":"Ba1 Ca3","formula_reduced":"BaCa3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-5086","created_at":"2022-09-04T14:36:34.929993Z","updated_at":"2022-09-04T14:36:34.930007Z","structure_string":"K2 O4\n1.0\n3.707501 -0.000000 1.115607\n1.830908 5.030221 0.633714\n0.403555 0.007715 5.377246\nK O\n2 4\ndirect\n0.500001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 K\n0.156121 0.045240 0.454732 O\n0.156092 0.454759 0.045268 O\n0.843908 0.545240 -0.045268 O\n0.843881 0.954759 0.545268 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":2.4089796453255357,"density_atomic":0.06121437238848829,"volume":98.01619727344185,"volume_molar":9.837788945676582,"formula_full":"K2 O4","formula_reduced":"KO2","formula_anonymous":"AB2","energy_above_hull":0.95773675,"spacegroup":74},{"id":"jvasp-34550","created_at":"2022-09-04T14:37:08.020613Z","updated_at":"2022-09-04T14:37:08.020629Z","structure_string":"K4 Cl4 O12\n1.0\n4.628117 0.000000 0.000000\n0.000000 5.585603 0.000000\n0.000000 0.000000 13.071142\nK Cl O\n4 4 12\ndirect\n0.982556 0.250000 0.354044 K\n0.017445 0.750000 0.645956 K\n0.482556 0.750000 0.145956 K\n0.517445 0.250000 0.854044 K\n0.527713 0.750000 0.414200 Cl\n0.972288 0.750000 0.914200 Cl\n0.027713 0.250000 0.085800 Cl\n0.472288 0.250000 0.585799 Cl\n0.521353 0.465862 0.652146 O\n0.656696 0.750000 0.941387 O\n0.978648 0.034137 0.152146 O\n0.343304 0.250000 0.058613 O\n0.521353 0.034137 0.652146 O\n0.478647 0.534137 0.347854 O\n0.021353 0.965862 0.847853 O\n0.156696 0.250000 0.558613 O\n0.478647 0.965862 0.347854 O\n0.021353 0.534137 0.847853 O\n0.843305 0.750000 0.441387 O\n0.978648 0.465862 0.152146 O\n","nsites":20,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":2.408977288513349,"density_atomic":0.059189145300812714,"volume":337.8997939293674,"volume_molar":10.174400609088218,"formula_full":"K4 Cl4 O12","formula_reduced":"KClO3","formula_anonymous":"ABC3","energy_above_hull":1.332051075666666,"spacegroup":62}]}