{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3513","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3511","results":[{"id":"jvasp-119239","created_at":"2022-09-04T14:38:49.137264Z","updated_at":"2022-09-04T14:38:49.137288Z","structure_string":"Sm3 Mg2 Ti1 S8\n1.0\n6.838787 -0.000031 3.948211\n2.279701 6.306787 3.948293\n-0.000008 0.000045 7.896613\nSm Mg Ti S\n3 2 1 8\ndirect\n0.500002 0.500010 0.499989 Sm\n0.499996 0.499994 -0.000000 Sm\n0.000001 0.499995 0.500007 Sm\n0.875540 0.873386 0.875538 Mg\n0.124460 0.126614 0.124462 Mg\n0.500003 0.999999 0.500003 Ti\n0.732001 0.771133 0.732007 S\n0.268005 0.228863 0.735142 S\n0.252386 0.742832 0.252385 S\n0.735143 0.228866 0.267996 S\n0.747608 0.257169 0.747605 S\n0.264857 0.771137 0.731999 S\n0.267996 0.228858 0.268005 S\n0.732006 0.771140 0.264857 S\n","nsites":14,"nelements":4,"elements":["Sm","Mg","Ti","S"],"chemical_system":"Mg-S-Sm-Ti","density":3.9202946392255216,"density_atomic":0.041105506816819,"volume":340.5869695850987,"volume_molar":14.65044765616645,"formula_full":"Sm3 Mg2 Ti1 S8","formula_reduced":"Sm3Mg2TiS8","formula_anonymous":"AB2C3D8","energy_above_hull":1.799072361309524,"spacegroup":166},{"id":"jvasp-3243","created_at":"2022-09-04T14:36:44.724689Z","updated_at":"2022-09-04T14:36:44.724701Z","structure_string":"Ca4 Sb2 O1\n1.0\n4.514284 -0.000000 -1.242098\n-0.341761 4.501329 -1.242098\n-0.017263 -0.018624 8.761670\nCa Sb O\n4 2 1\ndirect\n0.664884 0.664885 0.329769 Ca\n0.335116 0.335116 0.670231 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.500000 -0.000000 Ca\n0.860370 0.860370 0.720739 Sb\n0.139630 0.139631 0.279261 Sb\n0.500000 0.500000 -0.000000 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Cl\n","nsites":6,"nelements":3,"elements":["Ba","Br","Cl"],"chemical_system":"Ba-Br-Cl","density":3.9202364067697157,"density_atomic":0.03945190207669111,"volume":152.08392204605283,"volume_molar":15.264513098236622,"formula_full":"Ba1 Br1 Cl4","formula_reduced":"BaBrCl4","formula_anonymous":"ABC4","energy_above_hull":0.3244687004166666,"spacegroup":216},{"id":"jvasp-104797","created_at":"2022-09-04T14:38:47.483107Z","updated_at":"2022-09-04T14:38:47.483124Z","structure_string":"Rb2 Lu1 Cu1 Cl6\n1.0\n6.232370 -0.000000 3.598261\n2.077457 5.875935 3.598261\n-0.000000 -0.000000 7.196521\nRb Lu Cu Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cu\n0.748071 0.251928 0.251929 Cl\n0.251929 0.251928 0.748071 Cl\n0.251929 0.748071 0.748071 Cl\n0.251929 0.748071 0.251929 Cl\n0.748071 0.251928 0.748071 Cl\n0.748072 0.748071 0.251929 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Lu","Cu","Cl"],"chemical_system":"Cl-Cu-Lu-Rb","density":3.920152680701358,"density_atomic":0.037944356466633265,"volume":263.5438028523055,"volume_molar":15.870978772022731,"formula_full":"Rb2 Lu1 Cu1 Cl6","formula_reduced":"Rb2LuCuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-102064","created_at":"2022-09-04T14:36:41.790044Z","updated_at":"2022-09-04T14:36:41.790062Z","structure_string":"K2 Na1 Bi1 F6\n1.0\n5.485621 -0.000000 3.167125\n1.828541 5.171892 3.167125\n-0.000000 -0.000000 6.334250\nK Na Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Bi\n0.747874 0.252126 0.252125 F\n0.252126 0.252126 0.747874 F\n0.252126 0.747874 0.747874 F\n0.252126 0.747874 0.252125 F\n0.747874 0.252126 0.747873 F\n0.747874 0.747874 0.252125 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O\n0.955204 0.910410 0.881568 O\n0.751029 0.502059 0.250000 O\n0.955204 0.910410 0.618432 O\n","nsites":16,"nelements":3,"elements":["Ti","N","O"],"chemical_system":"N-O-Ti","density":3.918947410172639,"density_atomic":0.0859712163810379,"volume":186.10880098619862,"volume_molar":7.004833726335718,"formula_full":"Ti6 N4 O6","formula_reduced":"Ti3N2O3","formula_anonymous":"A2B3C3","energy_above_hull":3.910889,"spacegroup":63},{"id":"jvasp-113510","created_at":"2022-09-04T14:38:45.163585Z","updated_at":"2022-09-04T14:38:45.163613Z","structure_string":"Ba3 Te1\n1.0\n8.224089 0.860776 -0.309313\n-3.361787 -7.582417 0.095366\n2.440577 0.287906 -3.936502\nBa Te\n3 1\ndirect\n0.022338 0.001676 0.882588 Ba\n0.702321 0.359350 0.880112 Ba\n0.344617 0.644118 0.880361 Ba\n0.522311 0.001737 0.381394 Te\n","nsites":4,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":3.9189247758949035,"density_atomic":0.017495291076925486,"volume":228.6329494269229,"volume_molar":34.421495095572276,"formula_full":"Ba3 Te1","formula_reduced":"Ba3Te","formula_anonymous":"AB3","energy_above_hull":0.215645485,"spacegroup":71},{"id":"jvasp-49976","created_at":"2022-09-04T14:38:11.476390Z","updated_at":"2022-09-04T14:38:11.476407Z","structure_string":"Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 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O\n","nsites":15,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":3.9188063189473574,"density_atomic":0.1001004553461072,"volume":149.8494681980818,"volume_molar":6.0160972686666145,"formula_full":"Li3 V3 Cr1 O8","formula_reduced":"Li3V3CrO8","formula_anonymous":"AB3C3D8","energy_above_hull":3.0929605333333337,"spacegroup":8},{"id":"jvasp-88092","created_at":"2022-09-04T14:35:55.319867Z","updated_at":"2022-09-04T14:35:55.319893Z","structure_string":"Zr1 Co1 F6\n1.0\n4.735178 0.144814 3.031985\n1.731656 4.409562 3.031984\n0.205624 0.144814 5.618946\nZr Co F\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.621382 0.248210 0.879149 F\n0.248213 0.879147 0.621381 F\n0.120852 0.378618 0.751789 F\n0.751789 0.120851 0.378619 F\n0.378620 0.751788 0.120851 F\n0.879149 0.621380 0.248211 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