{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=72","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=70","results":[{"id":"jvasp-111852","created_at":"2022-09-04T14:38:53.638659Z","updated_at":"2022-09-04T14:38:53.638694Z","structure_string":"Dy2 Mg2 Mn2 S8\n1.0\n6.587107 -0.163637 4.068159\n2.172711 6.066658 3.716712\n0.063376 -0.125871 7.642337\nDy Mg Mn S\n2 2 2 8\ndirect\n0.500001 0.500000 0.499998 Dy\n-0.000000 0.499999 0.500001 Dy\n0.871546 0.878454 0.878458 Mg\n0.128457 0.121545 0.121542 Mg\n0.500001 0.499999 0.000000 Mn\n0.500003 -0.000002 0.500001 Mn\n0.716334 0.745985 0.768466 S\n0.259366 0.234250 0.725754 S\n0.280631 0.725744 0.234254 S\n0.730784 0.231535 0.254015 S\n0.719368 0.274254 0.765747 S\n0.269218 0.768466 0.745982 S\n0.283666 0.254017 0.231533 S\n0.740636 0.765748 0.274247 S\n","nsites":14,"nelements":4,"elements":["Dy","Mg","Mn","S"],"chemical_system":"Dy-Mg-Mn-S","density":3.983373870522438,"density_atomic":0.04538315815589415,"volume":308.4844812233885,"volume_molar":13.269549772877307,"formula_full":"Dy2 Mg2 Mn2 S8","formula_reduced":"DyMgMnS4","formula_anonymous":"ABCD4","energy_above_hull":1.8182818273399015,"spacegroup":15},{"id":"jvasp-120937","created_at":"2022-09-04T14:38:53.634850Z","updated_at":"2022-09-04T14:38:53.634868Z","structure_string":"Na2 C1 N2\n1.0\n2.505020 -2.472838 0.004694\n2.505020 2.472838 0.004694\n-1.789941 0.000000 5.160019\nNa C N\n2 1 2\ndirect\n0.322497 0.322497 0.691586 Na\n0.677501 0.677501 0.308412 Na\n0.000000 0.000000 0.000000 C\n0.162759 0.162759 0.226670 N\n0.837240 0.837240 0.773329 N\n","nsites":5,"nelements":3,"elements":["Na","C","N"],"chemical_system":"C-N-Na","density":2.2325210338049932,"density_atomic":0.07816271581638383,"volume":63.969118111834355,"volume_molar":7.704620671250638,"formula_full":"Na2 C1 N2","formula_reduced":"Na2CN2","formula_anonymous":"AB2C2","energy_above_hull":3.0606409,"spacegroup":12},{"id":"jvasp-118748","created_at":"2022-09-04T14:38:53.633549Z","updated_at":"2022-09-04T14:38:53.633577Z","structure_string":"N2 Cl1\n1.0\n4.195051 0.000000 0.000000\n0.000000 6.897198 0.000000\n0.000000 0.000000 2.632190\nN Cl\n2 1\ndirect\n0.131981 0.939999 0.000000 N\n0.868019 0.939999 0.000000 N\n0.000000 0.440002 0.000000 Cl\n","nsites":3,"nelements":2,"elements":["N","Cl"],"chemical_system":"Cl-N","density":1.3837759827417477,"density_atomic":0.03939073470966343,"volume":76.1600417487017,"volume_molar":15.288216389938608,"formula_full":"N2 Cl1","formula_reduced":"N2Cl","formula_anonymous":"AB2","energy_above_hull":3.1724135224999994,"spacegroup":47},{"id":"jvasp-120295","created_at":"2022-09-04T14:38:53.632201Z","updated_at":"2022-09-04T14:38:53.632227Z","structure_string":"Li1 Zn1 O1\n1.0\n2.453735 1.457506 0.000000\n1.022964 6.585039 0.000000\n0.000000 0.000000 3.275376\nLi Zn O\n1 1 1\ndirect\n-0.080259 -0.133457 0.000000 Li\n0.208526 0.344533 0.000000 Zn\n0.087746 0.089684 0.000000 O\n","nsites":3,"nelements":3,"elements":["Li","Zn","O"],"chemical_system":"Li-O-Zn","density":3.0538752943696057,"density_atomic":0.062448189436042655,"volume":48.03982352558835,"volume_molar":9.643419311888419,"formula_full":"Li1 Zn1 O1","formula_reduced":"LiZnO","formula_anonymous":"ABC","energy_above_hull":0.1017579666666668,"spacegroup":38},{"id":"jvasp-111820","created_at":"2022-09-04T14:38:53.629042Z","updated_at":"2022-09-04T14:38:53.629069Z","structure_string":"Cu1 Bi12 Ir3\n1.0\n4.253626 0.000000 0.000000\n0.000000 9.063092 -0.032605\n0.000000 -0.096226 11.685286\nCu Bi Ir\n1 12 3\ndirect\n0.500000 0.596136 0.978462 Cu\n0.500000 0.797641 0.610776 Bi\n0.500000 0.284531 0.884242 Bi\n0.000000 0.215761 0.393752 Bi\n0.000000 0.691465 0.121795 Bi\n0.500000 0.892548 0.908408 Bi\n0.500000 0.400700 0.604952 Bi\n0.000000 0.106359 0.085852 Bi\n0.000000 0.612426 0.399295 Bi\n0.500000 0.918004 0.318331 Bi\n0.500000 0.388986 0.179341 Bi\n0.000000 0.090091 0.682964 Bi\n0.000000 0.584353 0.815333 Bi\n0.500000 0.108074 0.523213 Ir\n0.000000 0.408470 0.015640 Ir\n0.000000 0.904450 0.477642 Ir\n","nsites":16,"nelements":3,"elements":["Cu","Bi","Ir"],"chemical_system":"Bi-Cu-Ir","density":11.60423140158262,"density_atomic":0.03551876134511796,"volume":450.4661591246395,"volume_molar":16.95481636165711,"formula_full":"Cu1 Bi12 Ir3","formula_reduced":"Cu(Bi4Ir)3","formula_anonymous":"AB3C12","energy_above_hull":1.894325959375,"spacegroup":6},{"id":"jvasp-118774","created_at":"2022-09-04T14:38:53.626752Z","updated_at":"2022-09-04T14:38:53.626780Z","structure_string":"Sr2 Ti1 N2\n1.0\n-1.877723 1.877723 6.935076\n1.877723 -1.877723 6.935076\n1.877723 1.877723 -6.935076\nSr Ti N\n2 1 2\ndirect\n0.660139 0.660139 0.000000 Sr\n0.339861 0.339861 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.861853 0.861853 0.000000 N\n0.138148 0.138148 0.000000 N\n","nsites":5,"nelements":3,"elements":["Sr","Ti","N"],"chemical_system":"N-Sr-Ti","density":4.263407295012725,"density_atomic":0.05112057574105918,"volume":97.80797511605654,"volume_molar":11.780267871989397,"formula_full":"Sr2 Ti1 N2","formula_reduced":"Sr2TiN2","formula_anonymous":"AB2C2","energy_above_hull":2.5923574906666667,"spacegroup":139},{"id":"jvasp-117698","created_at":"2022-09-04T14:38:53.625097Z","updated_at":"2022-09-04T14:38:53.625125Z","structure_string":"Be1 S2\n1.0\n3.526341 -0.573599 -0.168301\n1.248222 -5.196625 0.166486\n0.511514 -3.966576 -3.108439\nBe S\n1 2\ndirect\n0.006443 0.934110 0.964963 Be\n0.908015 0.375889 0.333119 S\n0.451795 0.840750 0.248568 S\n","nsites":3,"nelements":2,"elements":["Be","S"],"chemical_system":"Be-S","density":2.115853363786273,"density_atomic":0.05226245556350962,"volume":57.40258408551783,"volume_molar":11.522881378357477,"formula_full":"Be1 S2","formula_reduced":"BeS2","formula_anonymous":"AB2","energy_above_hull":1.4749687000000002,"spacegroup":5},{"id":"jvasp-120727","created_at":"2022-09-04T14:38:53.619593Z","updated_at":"2022-09-04T14:38:53.619626Z","structure_string":"K1 La2 Ag3 Te8\n1.0\n4.459547 0.000000 0.000000\n0.000000 4.459547 0.000000\n0.000000 0.000000 21.383240\nK La Ag Te\n1 2 3 8\ndirect\n0.000000 0.000000 0.737237 K\n0.000000 0.000000 0.197999 La\n0.500000 0.500000 -0.002231 La\n-0.000000 0.500000 0.584207 Ag\n0.500000 0.000000 0.584207 Ag\n0.500000 0.500000 0.495586 Ag\n0.500000 0.500000 0.670292 Te\n0.500000 0.000000 0.319962 Te\n0.500000 0.000000 0.875577 Te\n-0.000000 0.500000 0.319962 Te\n0.000000 0.000000 0.039902 Te\n0.500000 0.500000 0.154317 Te\n-0.000000 0.500000 0.875577 Te\n0.000000 0.000000 0.487343 Te\n","nsites":14,"nelements":4,"elements":["K","La","Ag","Te"],"chemical_system":"Ag-K-La-Te","density":6.487028102864186,"density_atomic":0.03292100119278719,"volume":425.2604566311708,"volume_molar":18.29270235353419,"formula_full":"K1 La2 Ag3 Te8","formula_reduced":"KLa2Ag3Te8","formula_anonymous":"AB2C3D8","energy_above_hull":0.7666394223809525,"spacegroup":99},{"id":"jvasp-120592","created_at":"2022-09-04T14:38:53.616762Z","updated_at":"2022-09-04T14:38:53.616802Z","structure_string":"V4 O6 F6\n1.0\n5.078412 -0.000000 0.000000\n0.000000 5.280136 0.303410\n0.000000 0.118606 7.189306\nV O F\n4 6 6\ndirect\n0.525133 0.534362 0.270094 V\n0.525133 0.465640 0.729906 V\n0.012489 0.050031 0.231790 V\n0.012489 0.949971 0.768211 V\n0.180563 0.314487 0.200206 O\n0.180563 0.685515 0.799794 O\n0.389708 0.500001 0.500000 O\n0.795756 0.304901 0.698080 O\n0.795756 0.695100 0.301920 O\n0.913514 0.000000 -0.000000 O\n0.099971 0.000000 0.500000 F\n0.307911 0.178839 0.803520 F\n0.307911 0.821162 0.196481 F\n0.583727 0.500000 -0.000000 F\n0.684686 0.196536 0.304866 F\n0.684686 0.803465 0.695135 F\n","nsites":16,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.5673190840003874,"density_atomic":0.08307529199156645,"volume":192.59637392095198,"volume_molar":7.249015460109788,"formula_full":"V4 O6 F6","formula_reduced":"V2(OF)3","formula_anonymous":"A2B3C3","energy_above_hull":1.9227437184375,"spacegroup":3},{"id":"jvasp-117893","created_at":"2022-09-04T14:38:53.616336Z","updated_at":"2022-09-04T14:38:53.616363Z","structure_string":"Zr1 C1 Cl2\n1.0\n3.333732 0.000000 -0.000000\n0.000000 3.333732 0.000000\n-0.000000 0.000000 7.217766\nZr C Cl\n1 1 2\ndirect\n0.500000 0.500000 0.756680 Zr\n0.000000 0.000000 0.720445 C\n0.000000 0.000000 0.454977 Cl\n0.500000 0.500000 0.077899 Cl\n","nsites":4,"nelements":3,"elements":["Zr","C","Cl"],"chemical_system":"C-Cl-Zr","density":3.6048335605821116,"density_atomic":0.049865000257147386,"volume":80.21658436523644,"volume_molar":12.076889058346728,"formula_full":"Zr1 C1 Cl2","formula_reduced":"ZrCCl2","formula_anonymous":"ABC2","energy_above_hull":2.46918315875,"spacegroup":99},{"id":"jvasp-121990","created_at":"2022-09-04T14:38:53.614461Z","updated_at":"2022-09-04T14:38:53.614491Z","structure_string":"Nb6 V2 Se12\n1.0\n6.052849 -0.000000 0.000000\n-3.026424 5.241921 0.000000\n-0.000000 -0.000000 12.685490\nNb V Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333334 0.666667 0.999237 Nb\n0.666667 0.333333 0.000763 Nb\n0.666667 0.333333 0.499237 Nb\n0.333334 0.666667 0.500763 Nb\n0.333334 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.668989 0.666916 0.133762 Se\n0.002072 0.333083 0.866238 Se\n0.331012 0.997928 0.866238 Se\n0.666917 0.668988 0.866238 Se\n0.666917 0.997928 0.633762 Se\n0.668989 0.002072 0.366238 Se\n0.331012 0.333083 0.633762 Se\n0.997929 0.666916 0.366238 Se\n0.997929 0.331011 0.133762 Se\n0.333084 0.331011 0.366238 Se\n0.002072 0.668988 0.633762 Se\n0.333084 0.002072 0.133762 Se\n","nsites":20,"nelements":3,"elements":["Nb","V","Se"],"chemical_system":"Nb-Se-V","density":6.629251861553122,"density_atomic":0.04969039363683913,"volume":402.49228344153295,"volume_molar":12.119325928493643,"formula_full":"Nb6 V2 Se12","formula_reduced":"Nb3VSe6","formula_anonymous":"AB3C6","energy_above_hull":3.40954726,"spacegroup":182},{"id":"jvasp-119719","created_at":"2022-09-04T14:38:53.614407Z","updated_at":"2022-09-04T14:38:53.614424Z","structure_string":"Li3 Fe2 Si2 O8\n1.0\n4.963404 -0.006880 0.019671\n0.070327 5.402446 0.067525\n0.001736 0.014903 6.176528\nLi Fe Si O\n3 2 2 8\ndirect\n0.511202 0.663008 0.252256 Li\n0.506998 0.668030 0.751249 Li\n-0.000846 0.331930 0.748808 Li\n0.008724 0.827671 0.007778 Fe\n0.499411 0.174662 0.490352 Fe\n0.492282 0.167431 0.995357 Si\n0.004771 0.836160 0.505105 Si\n0.614606 0.877682 0.999458 O\n0.163795 0.148813 0.980843 O\n0.579736 0.316506 0.212860 O\n0.121400 0.705235 0.285180 O\n0.116777 0.119705 0.520051 O\n0.670262 0.839113 0.501312 O\n0.102935 0.677728 0.725665 O\n0.602033 0.315390 0.774190 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":3.175117882015908,"density_atomic":0.09056960555840429,"volume":165.6184755086205,"volume_molar":6.649185146463502,"formula_full":"Li3 Fe2 Si2 O8","formula_reduced":"Li3Fe2(SiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.705966413333334,"spacegroup":1}]}