{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3407","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3405","results":[{"id":"jvasp-94857","created_at":"2022-09-04T14:36:30.889729Z","updated_at":"2022-09-04T14:36:30.889757Z","structure_string":"Rb2 Te1 Se4\n1.0\n-0.014340 0.000000 -5.350807\n-4.922354 -4.310929 -2.464384\n-4.922354 4.310929 -2.464384\nRb Te Se\n2 1 4\ndirect\n0.336659 0.321292 0.321292 Rb\n0.663341 0.678707 0.678707 Rb\n0.000000 0.000000 0.000000 Te\n0.258465 0.325299 0.846594 Se\n0.258465 0.846594 0.325299 Se\n0.741535 0.674700 0.153406 Se\n0.741535 0.153406 0.674700 Se\n","nsites":7,"nelements":3,"elements":["Rb","Te","Se"],"chemical_system":"Rb-Se-Te","density":4.49855628220487,"density_atomic":0.030866553636419547,"volume":226.78268790399318,"volume_molar":19.510246692699948,"formula_full":"Rb2 Te1 Se4","formula_reduced":"Rb2TeSe4","formula_anonymous":"AB2C4","energy_above_hull":0.6522944619047619,"spacegroup":12},{"id":"jvasp-99041","created_at":"2022-09-04T14:36:33.091026Z","updated_at":"2022-09-04T14:36:33.091058Z","structure_string":"Rb12 Bi4 O12\n1.0\n8.756028 0.000000 0.000000\n0.000000 8.756028 0.000000\n-0.000000 -0.000000 8.756028\nRb Bi O\n12 4 12\ndirect\n0.211154 0.711154 0.788846 Rb\n0.293198 0.706802 0.206802 Rb\n0.206802 0.293198 0.706802 Rb\n0.029331 0.029331 0.029331 Rb\n0.470669 0.970669 0.529331 Rb\n0.529331 0.470669 0.970669 Rb\n0.970669 0.529331 0.470669 Rb\n0.793198 0.793198 0.793198 Rb\n0.706802 0.206802 0.293198 Rb\n0.711154 0.788846 0.211154 Rb\n0.288846 0.288846 0.288846 Rb\n0.788846 0.211154 0.711154 Rb\n0.020503 0.979498 0.479498 Bi\n0.479498 0.020503 0.979498 Bi\n0.520503 0.520503 0.520503 Bi\n0.979498 0.479498 0.020503 Bi\n0.785075 0.931728 0.495001 O\n0.285075 0.568272 0.504999 O\n0.068272 0.995001 0.714925 O\n0.714925 0.068272 0.995001 O\n0.995001 0.714925 0.068272 O\n0.504999 0.285075 0.568272 O\n0.214925 0.431728 0.004999 O\n0.004999 0.214925 0.431728 O\n0.495001 0.785075 0.931728 O\n0.568272 0.504999 0.285075 O\n0.931728 0.495001 0.785075 O\n0.431728 0.004999 0.214925 O\n","nsites":28,"nelements":3,"elements":["Rb","Bi","O"],"chemical_system":"Bi-O-Rb","density":5.079585809687214,"density_atomic":0.04170965583387099,"volume":671.3073853096182,"volume_molar":14.438241312721702,"formula_full":"Rb12 Bi4 O12","formula_reduced":"Rb3BiO3","formula_anonymous":"AB3C3","energy_above_hull":0.6522921142857144,"spacegroup":198},{"id":"jvasp-102586","created_at":"2022-09-04T14:36:57.367739Z","updated_at":"2022-09-04T14:36:57.367760Z","structure_string":"Y1 Tm1 Tl2\n1.0\n4.602885 -0.000000 2.657477\n1.534295 4.339642 2.657477\n-0.000000 -0.000000 5.314954\nY Tm Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500001 Tm\n0.249999 0.250000 0.250000 Tl\n0.749998 0.750000 0.750001 Tl\n","nsites":4,"nelements":3,"elements":["Y","Tm","Tl"],"chemical_system":"Tl-Tm-Y","density":10.42641981125411,"density_atomic":0.037677011956600344,"volume":106.16553150784748,"volume_molar":15.983594365011813,"formula_full":"Y1 Tm1 Tl2","formula_reduced":"YTmTl2","formula_anonymous":"ABC2","energy_above_hull":0.6522637249999998,"spacegroup":225},{"id":"jvasp-64856","created_at":"2022-09-04T14:35:41.084872Z","updated_at":"2022-09-04T14:35:41.084897Z","structure_string":"Ba4 Sc1 Sb1\n1.0\n-0.000000 5.046910 5.046910\n5.046910 -0.000000 5.046910\n5.046910 5.046910 -0.000000\nBa Sc Sb\n4 1 1\ndirect\n0.127740 0.624087 0.624087 Ba\n0.624087 0.624087 0.624087 Ba\n0.624087 0.127740 0.624087 Ba\n0.624087 0.624087 0.127740 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Sb"],"chemical_system":"Ba-Sb-Sc","density":4.62455498367285,"density_atomic":0.023336975712896307,"volume":257.1027228984227,"volume_molar":25.80514645122628,"formula_full":"Ba4 Sc1 Sb1","formula_reduced":"Ba4ScSb","formula_anonymous":"ABC4","energy_above_hull":0.6521925383333332,"spacegroup":216},{"id":"jvasp-96502","created_at":"2022-09-04T14:35:43.080546Z","updated_at":"2022-09-04T14:35:43.080571Z","structure_string":"Yb2 S1 O2\n1.0\n4.348338 -0.000000 0.000000\n-2.174168 3.765771 0.000000\n-0.000000 0.000000 4.713580\nYb S O\n2 1 2\ndirect\n0.666667 0.333333 0.415321 Yb\n0.333333 0.666667 -0.087284 Yb\n-0.000000 -0.000000 0.163904 S\n0.333333 0.666667 0.431335 O\n0.666667 0.333333 0.896725 O\n","nsites":5,"nelements":3,"elements":["Yb","S","O"],"chemical_system":"O-S-Yb","density":8.823830651442004,"density_atomic":0.06478014569981275,"volume":77.18414254839277,"volume_molar":9.296275417326527,"formula_full":"Yb2 S1 O2","formula_reduced":"Yb2SO2","formula_anonymous":"AB2C2","energy_above_hull":0.6518756799999997,"spacegroup":164},{"id":"jvasp-51413","created_at":"2022-09-04T14:37:15.119811Z","updated_at":"2022-09-04T14:37:15.119840Z","structure_string":"In1 Ag1 S2\n1.0\n0.622339 5.806461 18.957431\n-1.679941 3.081281 6.849287\n-1.154164 -4.536037 -8.950930\nIn Ag S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Ag\n0.482602 -0.202603 -0.000000 S\n0.517398 0.202602 0.000000 S\n","nsites":4,"nelements":3,"elements":["In","Ag","S"],"chemical_system":"Ag-In-S","density":5.891732782221719,"density_atomic":0.04948234325272706,"volume":80.83691549469118,"volume_molar":12.170282092831384,"formula_full":"In1 Ag1 S2","formula_reduced":"InAgS2","formula_anonymous":"ABC2","energy_above_hull":0.6518218075000001,"spacegroup":12},{"id":"jvasp-91629","created_at":"2022-09-04T14:35:49.181565Z","updated_at":"2022-09-04T14:35:49.181583Z","structure_string":"Li2 Pr2 Sn4\n1.0\n-4.540780 0.000000 0.000000\n0.000000 -0.000000 -4.536187\n2.270390 -9.562340 -0.000000\nLi Pr Sn\n2 2 4\ndirect\n0.675817 0.750000 0.351632 Li\n0.324183 0.250000 0.648367 Li\n0.893650 0.750000 0.787299 Pr\n0.106350 0.250000 0.212701 Pr\n0.544694 0.750000 0.089389 Sn\n0.455305 0.250000 0.910611 Sn\n0.250122 0.750000 0.500245 Sn\n0.749877 0.250000 0.499755 Sn\n","nsites":8,"nelements":3,"elements":["Li","Pr","Sn"],"chemical_system":"Li-Pr-Sn","density":6.496166869083551,"density_atomic":0.040616677530952966,"volume":196.96342700368334,"volume_molar":14.826768524852078,"formula_full":"Li2 Pr2 Sn4","formula_reduced":"LiPrSn2","formula_anonymous":"ABC2","energy_above_hull":0.6518058125000001,"spacegroup":63},{"id":"jvasp-78308","created_at":"2022-09-04T14:37:08.512547Z","updated_at":"2022-09-04T14:37:08.512577Z","structure_string":"Mg1 Al1\n1.0\n3.397626 0.000000 -0.000000\n0.000000 3.397626 0.000000\n0.000000 0.000000 3.397626\nMg Al\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Al\n","nsites":2,"nelements":2,"elements":["Mg","Al"],"chemical_system":"Al-Mg","density":2.171329697051339,"density_atomic":0.05099214504809698,"volume":39.22172715255562,"volume_molar":11.809938088150197,"formula_full":"Mg1 Al1","formula_reduced":"MgAl","formula_anonymous":"AB","energy_above_hull":0.6516704857142858,"spacegroup":221},{"id":"jvasp-103270","created_at":"2022-09-04T14:36:43.269149Z","updated_at":"2022-09-04T14:36:43.269167Z","structure_string":"La2 Ga1 Ag1\n1.0\n4.648622 0.000000 2.683884\n1.549541 4.382763 2.683884\n-0.000000 -0.000000 5.367767\nLa Ga Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["La","Ga","Ag"],"chemical_system":"Ag-Ga-La","density":6.914778750209126,"density_atomic":0.03657582370816855,"volume":109.36185694450053,"volume_molar":16.46481240736914,"formula_full":"La2 Ga1 Ag1","formula_reduced":"La2GaAg","formula_anonymous":"ABC2","energy_above_hull":0.6514448962499999,"spacegroup":225},{"id":"jvasp-78510","created_at":"2022-09-04T14:37:12.326326Z","updated_at":"2022-09-04T14:37:12.326345Z","structure_string":"Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n","nsites":3,"nelements":2,"elements":["Ba","Sb"],"chemical_system":"Ba-Sb","density":5.7470144365153955,"density_atomic":0.027262388753285214,"volume":110.04171450817894,"volume_molar":22.08955647466626,"formula_full":"Ba1 Sb2","formula_reduced":"BaSb2","formula_anonymous":"AB2","energy_above_hull":0.65140939,"spacegroup":65},{"id":"jvasp-104909","created_at":"2022-09-04T14:36:50.522416Z","updated_at":"2022-09-04T14:36:50.522441Z","structure_string":"Ti1 O1 F2\n1.0\n3.927732 -0.000000 0.000000\n0.000000 3.927732 0.000000\n-0.000000 -0.000000 3.691128\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 F\n-0.000000 0.500000 -0.000000 F\n","nsites":4,"nelements":3,"elements":["Ti","O","F"],"chemical_system":"F-O-Ti","density":2.9704595322701723,"density_atomic":0.07024528704172671,"volume":56.94332201424335,"volume_molar":8.573017512794506,"formula_full":"Ti1 O1 F2","formula_reduced":"TiOF2","formula_anonymous":"ABC2","energy_above_hull":0.6513755995833332,"spacegroup":123},{"id":"jvasp-38621","created_at":"2022-09-04T14:38:02.280883Z","updated_at":"2022-09-04T14:38:02.280920Z","structure_string":"Li1 Er2 Tl1\n1.0\n0.000000 3.672033 3.672033\n3.672033 0.000000 3.672033\n3.672033 3.672033 0.000000\nLi Er Tl\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.749999 0.749999 0.749999 Tl\n","nsites":4,"nelements":3,"elements":["Li","Er","Tl"],"chemical_system":"Er-Li-Tl","density":9.153065360475903,"density_atomic":0.04039338688505064,"volume":99.02611066962491,"volume_molar":14.908729434195477,"formula_full":"Li1 Er2 Tl1","formula_reduced":"LiEr2Tl","formula_anonymous":"ABC2","energy_above_hull":0.65132565,"spacegroup":225}]}