{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=3576","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=3574","results":[{"id":"jvasp-123607","created_at":"2022-09-04T14:38:52.085856Z","updated_at":"2022-09-04T14:38:52.085880Z","structure_string":"Pu1 P3\n1.0\n3.521319 -0.000000 -1.127570\n-0.046992 3.970798 -0.146752\n-0.177508 -0.190852 5.507847\nPu P\n1 3\ndirect\n0.335835 -0.007621 0.671672 Pu\n0.619926 0.057756 0.239850 P\n0.127271 0.439112 0.254541 P\n0.916968 0.510755 0.833938 P\n","nsites":4,"nelements":2,"elements":["Pu","P"],"chemical_system":"P-Pu","density":7.350852270890527,"density_atomic":0.05255573801480318,"volume":76.10967234202543,"volume_molar":11.458579001028902,"formula_full":"Pu1 P3","formula_reduced":"PuP3","formula_anonymous":"AB3","energy_above_hull":4.050329125,"spacegroup":8},{"id":"jvasp-117603","created_at":"2022-09-04T14:38:52.094076Z","updated_at":"2022-09-04T14:38:52.094096Z","structure_string":"Ba1 Mg1 Se2\n1.0\n4.325514 0.000000 0.000000\n0.000000 4.325514 0.000000\n-0.000000 0.000000 6.713278\nBa Mg Se\n1 1 2\ndirect\n0.500000 0.500000 0.521913 Ba\n0.000000 0.000000 0.054220 Mg\n0.000000 0.000000 0.431375 Se\n0.500000 0.500000 0.002493 Se\n","nsites":4,"nelements":3,"elements":["Ba","Mg","Se"],"chemical_system":"Ba-Mg-Se","density":4.224551040905603,"density_atomic":0.031845635170400906,"volume":125.605910467687,"volume_molar":18.910411828109215,"formula_full":"Ba1 Mg1 Se2","formula_reduced":"BaMgSe2","formula_anonymous":"ABC2","energy_above_hull":0.0779333416666666,"spacegroup":99},{"id":"jvasp-122670","created_at":"2022-09-04T14:38:52.109996Z","updated_at":"2022-09-04T14:38:52.110022Z","structure_string":"Ho1 Ga3\n1.0\n5.420489 -0.833908 -0.891932\n-3.353450 4.339524 0.891932\n-0.826235 0.487178 4.031964\nHo Ga\n1 3\ndirect\n0.101042 0.898958 0.850999 Ho\n0.366283 0.633717 0.617608 Ga\n0.864591 0.135408 0.113937 Ga\n0.668084 0.331916 0.417454 Ga\n","nsites":4,"nelements":2,"elements":["Ho","Ga"],"chemical_system":"Ga-Ho","density":7.756904204977358,"density_atomic":0.04994734446494329,"volume":80.08433767299668,"volume_molar":12.056978853453922,"formula_full":"Ho1 Ga3","formula_reduced":"HoGa3","formula_anonymous":"AB3","energy_above_hull":0.0161325,"spacegroup":107},{"id":"jvasp-123615","created_at":"2022-09-04T14:38:52.161670Z","updated_at":"2022-09-04T14:38:52.161715Z","structure_string":"Sb1 P3\n1.0\n3.437809 -0.000000 -1.100829\n-0.025607 4.556629 -0.079969\n-0.029198 -0.110315 5.827242\nSb P\n1 3\ndirect\n0.377303 0.919524 0.754609 Sb\n0.606988 0.113568 0.213975 P\n0.105880 0.437124 0.211759 P\n0.909827 0.529783 0.819656 P\n","nsites":4,"nelements":2,"elements":["Sb","P"],"chemical_system":"P-Sb","density":3.913015360413801,"density_atomic":0.04390644334895126,"volume":91.10280165964623,"volume_molar":13.715847380618781,"formula_full":"Sb1 P3","formula_reduced":"SbP3","formula_anonymous":"AB3","energy_above_hull":2.6521706500000004,"spacegroup":8},{"id":"jvasp-122705","created_at":"2022-09-04T14:38:52.178874Z","updated_at":"2022-09-04T14:38:52.178902Z","structure_string":"Ga3 S1\n1.0\n4.889106 0.314750 -0.038924\n-2.091112 4.430539 0.038924\n0.029751 -0.017542 3.586992\nGa S\n3 1\ndirect\n0.355739 0.644262 0.249911 Ga\n0.894259 0.105742 0.249984 Ga\n0.624994 0.375007 0.750021 Ga\n0.125010 0.874991 0.750083 S\n","nsites":4,"nelements":2,"elements":["Ga","S"],"chemical_system":"Ga-S","density":5.0030121473025195,"density_atomic":0.0499578722492808,"volume":80.06746124095757,"volume_molar":12.054438047222268,"formula_full":"Ga3 S1","formula_reduced":"Ga3S","formula_anonymous":"AB3","energy_above_hull":0.09019924375,"spacegroup":65},{"id":"jvasp-117996","created_at":"2022-09-04T14:38:52.468992Z","updated_at":"2022-09-04T14:38:52.469021Z","structure_string":"Cd1 Cu1 O2\n1.0\n1.712995 0.988998 5.831861\n-1.712995 0.988998 5.831861\n-0.000000 -1.977996 5.831861\nCd Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.899208 0.899208 0.899208 O\n0.100791 0.100791 0.100791 O\n","nsites":4,"nelements":3,"elements":["Cd","Cu","O"],"chemical_system":"Cd-Cu-O","density":5.825191562522109,"density_atomic":0.0674761147428356,"volume":59.28023590636133,"volume_molar":8.924848122852852,"formula_full":"Cd1 Cu1 O2","formula_reduced":"CdCuO2","formula_anonymous":"ABC2","energy_above_hull":0.4283192999999999,"spacegroup":166},{"id":"jvasp-120817","created_at":"2022-09-04T14:38:52.121144Z","updated_at":"2022-09-04T14:38:52.121168Z","structure_string":"B3 As1\n1.0\n3.051027 0.027033 1.086846\n1.041404 -4.829059 0.075201\n-2.093177 -0.752476 -3.766753\nB As\n3 1\ndirect\n0.269586 0.917501 0.113576 B\n0.817838 0.846339 0.150065 B\n0.151539 0.731649 0.706692 B\n0.923048 0.406907 0.868185 As\n","nsites":4,"nelements":2,"elements":["B","As"],"chemical_system":"As-B","density":4.057540677676034,"density_atomic":0.09104437484312775,"volume":43.93461986961987,"volume_molar":6.614511627298593,"formula_full":"B3 As1","formula_reduced":"B3As","formula_anonymous":"AB3","energy_above_hull":4.031039875,"spacegroup":8},{"id":"jvasp-120149","created_at":"2022-09-04T14:38:52.153062Z","updated_at":"2022-09-04T14:38:52.153088Z","structure_string":"Na1 Hf1 F2\n1.0\n3.111411 0.000000 0.000000\n0.000000 3.111411 0.000000\n-0.000000 0.000000 6.046256\nNa Hf F\n1 1 2\ndirect\n0.500000 0.500000 0.519463 Na\n0.000000 0.000000 0.000934 Hf\n0.000000 0.000000 0.351506 F\n0.500000 0.500000 0.138099 F\n","nsites":4,"nelements":3,"elements":["Na","Hf","F"],"chemical_system":"F-Hf-Na","density":6.79377000115414,"density_atomic":0.06833743824168292,"volume":58.53306917730156,"volume_molar":8.812359542513185,"formula_full":"Na1 Hf1 F2","formula_reduced":"NaHfF2","formula_anonymous":"ABC2","energy_above_hull":0.6227201428571432,"spacegroup":99},{"id":"jvasp-122674","created_at":"2022-09-04T14:38:52.155394Z","updated_at":"2022-09-04T14:38:52.155414Z","structure_string":"K1 Ga3\n1.0\n5.663885 -0.654142 -0.772078\n-3.313961 4.639521 0.772078\n-0.962129 0.567306 4.445723\nK Ga\n1 3\ndirect\n0.063445 0.936556 0.929587 K\n0.427705 0.572296 0.312361 Ga\n0.812443 0.187559 0.182495 Ga\n0.696410 0.303592 0.575555 Ga\n","nsites":4,"nelements":2,"elements":["K","Ga"],"chemical_system":"Ga-K","density":3.9948899930469643,"density_atomic":0.03876110928367627,"volume":103.19622100403993,"volume_molar":15.536554219659925,"formula_full":"K1 Ga3","formula_reduced":"KGa3","formula_anonymous":"AB3","energy_above_hull":0.0234774999999999,"spacegroup":8},{"id":"jvasp-118054","created_at":"2022-09-04T14:38:52.188285Z","updated_at":"2022-09-04T14:38:52.188306Z","structure_string":"Sb1 H1 Cl2\n1.0\n4.160736 -0.000000 -0.000000\n-0.000000 4.160736 -0.000000\n0.000000 -0.000000 5.614333\nSb H Cl\n1 1 2\ndirect\n0.500001 0.500001 0.522212 Sb\n0.000000 0.000000 0.022913 H\n0.000000 0.000000 0.513489 Cl\n0.500001 0.500001 -0.048615 Cl\n","nsites":4,"nelements":3,"elements":["Sb","H","Cl"],"chemical_system":"Cl-H-Sb","density":3.3088859323531072,"density_atomic":0.04115489538819822,"volume":97.19378368647389,"volume_molar":14.632866158923438,"formula_full":"Sb1 H1 Cl2","formula_reduced":"SbHCl2","formula_anonymous":"ABC2","energy_above_hull":1.1550160587500002,"spacegroup":99},{"id":"jvasp-115583","created_at":"2022-09-04T14:38:52.316676Z","updated_at":"2022-09-04T14:38:52.316705Z","structure_string":"Ba1 Zn1 F2\n1.0\n4.583043 0.000000 -0.000000\n-0.000000 4.583043 0.000000\n-0.000000 -0.000000 3.597253\nBa Zn F\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n","nsites":4,"nelements":3,"elements":["Ba","Zn","F"],"chemical_system":"Ba-F-Zn","density":5.2906073237102325,"density_atomic":0.052939659528316474,"volume":75.55772053767123,"volume_molar":11.375480714564976,"formula_full":"Ba1 Zn1 F2","formula_reduced":"BaZnF2","formula_anonymous":"ABC2","energy_above_hull":0.00514,"spacegroup":123},{"id":"jvasp-118342","created_at":"2022-09-04T14:38:52.324152Z","updated_at":"2022-09-04T14:38:52.324177Z","structure_string":"Ti1 O2 F1\n1.0\n3.771077 -0.011580 0.032983\n-0.020654 3.758650 0.640265\n-0.048916 -0.734198 3.870481\nTi O F\n1 2 1\ndirect\n0.068378 0.010340 -0.044057 Ti\n0.068401 0.510362 -0.044108 O\n0.568394 0.010280 0.955831 O\n0.068409 0.010405 0.455912 F\n","nsites":4,"nelements":3,"elements":["Ti","O","F"],"chemical_system":"F-O-Ti","density":2.8984683471972907,"density_atomic":0.07062206062976173,"volume":56.639525444749054,"volume_molar":8.52727987019701,"formula_full":"Ti1 O2 F1","formula_reduced":"TiO2F","formula_anonymous":"ABC2","energy_above_hull":1.4789039039583332,"spacegroup":123}]}