{"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-105489","created_at":"2022-09-04T14:37:13.564523Z","updated_at":"2022-09-04T14:37:13.564545Z","structure_string":"Hg2 Te1 Se1\n1.0\n4.371359 0.003323 6.578300\n1.988854 3.892718 6.578300\n0.005425 0.003323 7.898277\nHg Te Se\n2 1 1\ndirect\n0.004755 0.004755 0.004755 Hg\n0.495569 0.495569 0.495571 Hg\n0.624058 0.624058 0.624060 Te\n0.125616 0.125616 0.125616 Se\n","nsites":4,"nelements":3,"elements":["Hg","Te","Se"],"chemical_system":"Hg-Se-Te","density":7.522311823924302,"density_atomic":0.02981565844600608,"volume":134.15769459674016,"volume_molar":20.197913022466516,"formula_full":"Hg2 Te1 Se1","formula_reduced":"Hg2TeSe","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":160},{"id":"jvasp-105485","created_at":"2022-09-04T14:37:12.683048Z","updated_at":"2022-09-04T14:37:12.683072Z","structure_string":"K4 Na1 Cl5\n1.0\n7.401741 0.000644 -1.266628\n-5.265090 5.202365 -1.266628\n-0.000265 -0.000644 7.509335\nK Na Cl\n4 1 5\ndirect\n0.595269 0.200738 0.796007 K\n0.200738 0.404731 0.605469 K\n0.799262 0.595268 0.394531 K\n0.404731 0.799262 0.203993 K\n0.000000 0.000000 0.000000 Na\n0.716534 0.906455 0.622990 Cl\n0.283466 0.093544 0.377010 Cl\n0.906455 0.283465 0.189922 Cl\n0.499999 0.499999 -0.000001 Cl\n0.093544 0.716534 0.810078 Cl\n","nsites":10,"nelements":3,"elements":["K","Na","Cl"],"chemical_system":"Cl-K-Na","density":2.048012342725375,"density_atomic":0.03458149119780609,"volume":289.1720297080311,"volume_molar":17.414346667566647,"formula_full":"K4 Na1 Cl5","formula_reduced":"K4NaCl5","formula_anonymous":"AB4C5","energy_above_hull":0.0005159999999999,"spacegroup":87},{"id":"jvasp-105483","created_at":"2022-09-04T14:37:00.467271Z","updated_at":"2022-09-04T14:37:00.467300Z","structure_string":"In2 Te1 As1\n1.0\n4.468441 0.053709 7.010031\n2.084475 3.952823 7.010031\n0.087845 0.053709 8.312628\nIn Te As\n2 1 1\ndirect\n0.988862 0.988862 0.988863 In\n0.508233 0.508232 0.508233 In\n0.379749 0.379749 0.379749 Te\n0.873157 0.873156 0.873157 As\n","nsites":4,"nelements":3,"elements":["In","Te","As"],"chemical_system":"As-In-Te","density":5.032490237515921,"density_atomic":0.02805121519938091,"volume":142.59631789813798,"volume_molar":21.468377456007357,"formula_full":"In2 Te1 As1","formula_reduced":"In2TeAs","formula_anonymous":"ABC2","energy_above_hull":0.5306648641666667,"spacegroup":160},{"id":"jvasp-105482","created_at":"2022-09-04T14:37:00.287437Z","updated_at":"2022-09-04T14:37:00.287457Z","structure_string":"In2 S3\n1.0\n5.153952 -0.014677 -4.591462\n-0.385356 3.759025 -5.776348\n-0.132036 0.014677 6.901255\nIn S\n2 3\ndirect\n0.666803 0.656791 0.010010 In\n0.353220 0.343207 0.010010 In\n0.378623 0.156301 0.222323 S\n0.066022 0.843698 0.222322 S\n0.785330 0.499999 0.285330 S\n","nsites":5,"nelements":2,"elements":["In","S"],"chemical_system":"In-S","density":4.103951466417158,"density_atomic":0.03792544817944481,"volume":131.83759823595037,"volume_molar":15.878891480744416,"formula_full":"In2 S3","formula_reduced":"In2S3","formula_anonymous":"A2B3","energy_above_hull":0.885541988,"spacegroup":44},{"id":"jvasp-105480","created_at":"2022-09-04T14:37:00.076077Z","updated_at":"2022-09-04T14:37:00.076094Z","structure_string":"Ho1 Pa1 O4\n1.0\n3.797905 -0.000000 0.000000\n0.000000 3.797905 0.000000\n-0.000000 -0.000000 5.364210\nHo Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499999 0.499999 0.500000 Pa\n0.499999 0.000000 0.742144 O\n-0.000000 0.499999 0.257856 O\n0.499999 0.000000 0.257856 O\n-0.000000 0.499999 0.742144 O\n","nsites":6,"nelements":3,"elements":["Ho","Pa","O"],"chemical_system":"Ho-O-Pa","density":9.871400785545504,"density_atomic":0.07754562213305465,"volume":77.3738069920318,"volume_molar":7.765932614051462,"formula_full":"Ho1 Pa1 O4","formula_reduced":"HoPaO4","formula_anonymous":"ABC4","energy_above_hull":2.2549837777777784,"spacegroup":123},{"id":"jvasp-10548","created_at":"2022-09-04T14:37:10.438976Z","updated_at":"2022-09-04T14:37:10.439002Z","structure_string":"Ba4 Na1 B3 N6\n1.0\n6.491459 -0.000000 -2.295077\n-3.245729 5.621768 -2.295077\n-0.000000 -0.000000 6.885232\nBa Na B N\n4 1 3 6\ndirect\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 B\n0.500000 0.000000 0.500000 B\n-0.000000 0.500000 0.500000 B\n-0.000000 0.670080 0.670079 N\n0.329920 0.329920 -0.000000 N\n-0.000000 0.329920 0.329920 N\n0.329920 0.000000 0.329920 N\n0.670080 0.000000 0.670079 N\n0.670080 0.670080 -0.000000 N\n","nsites":14,"nelements":4,"elements":["Ba","Na","B","N"],"chemical_system":"B-Ba-N-Na","density":4.551872778305022,"density_atomic":0.055717833292204824,"volume":251.2660520479834,"volume_molar":10.808282383160302,"formula_full":"Ba4 Na1 B3 N6","formula_reduced":"Ba4Na(BN2)3","formula_anonymous":"AB3C4D6","energy_above_hull":3.684690723571429,"spacegroup":229},{"id":"jvasp-105479","created_at":"2022-09-04T14:36:59.838488Z","updated_at":"2022-09-04T14:36:59.838510Z","structure_string":"In1 Ag1 Te2\n1.0\n4.107407 0.000553 6.130330\n1.864269 3.659958 6.130330\n0.000902 0.000553 7.379142\nIn Ag Te\n1 1 2\ndirect\n0.500001 0.499999 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.253611 0.253611 0.253611 Te\n0.746390 0.746388 0.746389 Te\n","nsites":4,"nelements":3,"elements":["In","Ag","Te"],"chemical_system":"Ag-In-Te","density":7.155873848805789,"density_atomic":0.036070243998009295,"volume":110.89473085407349,"volume_molar":16.695591968638638,"formula_full":"In1 Ag1 Te2","formula_reduced":"InAgTe2","formula_anonymous":"ABC2","energy_above_hull":0.2187056908333333,"spacegroup":166},{"id":"jvasp-105477","created_at":"2022-09-04T14:36:56.557734Z","updated_at":"2022-09-04T14:36:56.557764Z","structure_string":"In1 Ga1 Cu1 O4\n1.0\n3.359633 0.023887 7.911246\n1.629520 2.938090 7.911246\n0.040235 0.023887 8.594959\nIn Ga Cu O\n1 1 1 4\ndirect\n-0.000045 -0.000045 -0.000045 In\n0.212012 0.212012 0.212012 Ga\n0.785430 0.785432 0.785430 Cu\n0.874468 0.874470 0.874468 O\n0.133266 0.133266 0.133266 O\n0.706087 0.706089 0.706087 O\n0.288781 0.288782 0.288781 O\n","nsites":7,"nelements":4,"elements":["In","Ga","Cu","O"],"chemical_system":"Cu-Ga-In-O","density":6.224901989676877,"density_atomic":0.08408317875471943,"volume":83.25089635847173,"volume_molar":7.1621230895269745,"formula_full":"In1 Ga1 Cu1 O4","formula_reduced":"InGaCuO4","formula_anonymous":"ABCD4","energy_above_hull":1.1400538207142858,"spacegroup":160},{"id":"jvasp-105474","created_at":"2022-09-04T14:36:59.233697Z","updated_at":"2022-09-04T14:36:59.233720Z","structure_string":"K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n","nsites":4,"nelements":3,"elements":["K","Br","Cl"],"chemical_system":"Br-Cl-K","density":2.4416998998294592,"density_atomic":0.03038798657432852,"volume":131.63096509260544,"volume_molar":19.81750500405791,"formula_full":"K2 Br1 Cl1","formula_reduced":"K2BrCl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-105473","created_at":"2022-09-04T14:36:56.472084Z","updated_at":"2022-09-04T14:36:56.472110Z","structure_string":"K1 Na4 Cl5\n1.0\n4.020851 0.005335 16.349657\n1.985422 3.496480 16.349657\n0.009151 0.005335 16.836818\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.595498 0.595501 0.595499 Na\n0.198477 0.198478 0.198477 Na\n0.801521 0.801525 0.801523 Na\n0.404500 0.404502 0.404501 Na\n0.706194 0.706197 0.706196 Cl\n0.499999 0.500001 0.500000 Cl\n0.103011 0.103011 0.103011 Cl\n0.293804 0.293805 0.293805 Cl\n0.896987 0.896991 0.896989 Cl\n","nsites":10,"nelements":3,"elements":["K","Na","Cl"],"chemical_system":"Cl-K-Na","density":2.170997808296871,"density_atomic":0.04240384534478632,"volume":235.82766889865403,"volume_molar":14.201874172103688,"formula_full":"K1 Na4 Cl5","formula_reduced":"KNa4Cl5","formula_anonymous":"AB4C5","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-105471","created_at":"2022-09-04T14:36:57.139384Z","updated_at":"2022-09-04T14:36:57.139408Z","structure_string":"La2 Bi2 S4 O1 F1\n1.0\n4.091926 -0.000000 0.000000\n0.000000 4.091926 0.000000\n-0.000000 -0.000000 13.252266\nLa Bi S O F\n2 2 4 1 1\ndirect\n0.500000 0.000000 0.106282 La\n-0.000000 0.500000 0.893718 La\n0.500000 0.000000 0.615519 Bi\n-0.000000 0.500000 0.384481 Bi\n0.500000 0.000000 0.379881 S\n-0.000000 0.500000 0.620120 S\n0.500000 0.000000 0.815129 S\n-0.000000 0.500000 0.184872 S\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 F\n","nsites":10,"nelements":5,"elements":["La","Bi","S","O","F"],"chemical_system":"Bi-F-La-O-S","density":6.428527569138582,"density_atomic":0.0450665500630616,"volume":221.89406524366754,"volume_molar":13.362772947059895,"formula_full":"La2 Bi2 S4 O1 F1","formula_reduced":"La2Bi2S4OF","formula_anonymous":"ABC2D2E4","energy_above_hull":1.6448682382500004,"spacegroup":115},{"id":"jvasp-105470","created_at":"2022-09-04T14:36:58.806085Z","updated_at":"2022-09-04T14:36:58.806101Z","structure_string":"La2 Al1 Ge1\n1.0\n6.239084 0.018593 0.000000\n-4.554602 4.264049 0.000000\n0.000000 0.000000 4.167798\nLa Al Ge\n2 1 1\ndirect\n0.358494 0.641506 -0.000000 La\n0.644782 0.355217 0.500000 La\n0.068342 0.931658 -0.000000 Al\n0.928380 0.071618 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["La","Al","Ge"],"chemical_system":"Al-Ge-La","density":5.6345398780780735,"density_atomic":0.03596086102733774,"volume":111.2320418846247,"volume_molar":16.74637533128564,"formula_full":"La2 Al1 Ge1","formula_reduced":"La2AlGe","formula_anonymous":"ABC2","energy_above_hull":1.3785896875,"spacegroup":38}]}