{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4413","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4411","results":[{"id":"jvasp-103727","created_at":"2022-09-04T14:36:39.959253Z","updated_at":"2022-09-04T14:36:39.959271Z","structure_string":"Ba1 Bi1 Br1 O2\n1.0\n3.908774 -0.048238 -6.295776\n-0.358782 3.892572 -6.295776\n0.044544 0.048238 7.410353\nBa Bi Br O\n1 1 1 2\ndirect\n0.857764 0.857764 -0.000002 Ba\n0.168485 0.168485 -0.000000 Bi\n0.494895 0.494895 -0.000001 Br\n0.739427 0.239428 0.499998 O\n0.239427 0.739428 0.499999 O\n","nsites":5,"nelements":4,"elements":["Ba","Bi","Br","O"],"chemical_system":"Ba-Bi-Br-O","density":6.61499923511802,"density_atomic":0.0434696308975004,"volume":115.0228308077838,"volume_molar":13.853673554762771,"formula_full":"Ba1 Bi1 Br1 O2","formula_reduced":"BaBiBrO2","formula_anonymous":"ABCD2","energy_above_hull":0.7444322750000002,"spacegroup":107},{"id":"jvasp-103726","created_at":"2022-09-04T14:36:43.140641Z","updated_at":"2022-09-04T14:36:43.140656Z","structure_string":"Ba1 La1 Fe1 O4\n1.0\n3.868557 0.225011 -6.375269\n-0.111687 3.873485 -6.375269\n-0.206256 -0.225011 7.454344\nBa La Fe O\n1 1 1 4\ndirect\n0.645196 0.645195 -0.000001 Ba\n0.357274 0.357273 -0.000001 La\n0.987571 0.987569 -0.000002 Fe\n0.838511 0.838510 -0.000001 O\n0.193309 0.193309 -0.000000 O\n0.489068 0.989067 0.499998 O\n0.989069 0.489068 0.499999 O\n","nsites":7,"nelements":4,"elements":["Ba","La","Fe","O"],"chemical_system":"Ba-Fe-La-O","density":6.4873282534064565,"density_atomic":0.06904580674135256,"volume":101.38197133711807,"volume_molar":8.721950027405864,"formula_full":"Ba1 La1 Fe1 O4","formula_reduced":"BaLaFeO4","formula_anonymous":"ABCD4","energy_above_hull":2.0092700671428565,"spacegroup":107},{"id":"jvasp-103725","created_at":"2022-09-04T14:37:07.955721Z","updated_at":"2022-09-04T14:37:07.955751Z","structure_string":"Bi1 Pd6 Se1\n1.0\n4.388435 -0.005148 6.564502\n1.988327 3.912153 6.564502\n-0.008402 -0.005148 7.896263\nBi Pd Se\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.616338 0.616336 0.616337 Pd\n0.132424 0.132424 0.132424 Pd\n0.867576 0.867574 0.867575 Pd\n0.383663 0.383662 0.383663 Pd\n0.255864 0.255863 0.255864 Pd\n0.744137 0.744135 0.744136 Pd\n0.500000 0.499999 0.500000 Se\n","nsites":8,"nelements":3,"elements":["Bi","Pd","Se"],"chemical_system":"Bi-Pd-Se","density":11.316694727000478,"density_atomic":0.05884826041782083,"volume":135.9428459431128,"volume_molar":10.233336919805252,"formula_full":"Bi1 Pd6 Se1","formula_reduced":"BiPd6Se","formula_anonymous":"ABC6","energy_above_hull":1.7693089833333338,"spacegroup":166},{"id":"jvasp-103724","created_at":"2022-09-04T14:37:06.995747Z","updated_at":"2022-09-04T14:37:06.995768Z","structure_string":"Ce2 Si3 Ni1\n1.0\n4.071191 -0.000000 0.000000\n-2.035595 3.525755 0.000000\n-0.000000 -0.000000 8.088691\nCe Si Ni\n2 3 1\ndirect\n0.333332 0.666666 0.240986 Ce\n0.333332 0.666666 0.759014 Ce\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666666 0.333333 -0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Ce","Si","Ni"],"chemical_system":"Ce-Ni-Si","density":6.052354090163444,"density_atomic":0.05167725028824014,"volume":116.10524876098877,"volume_molar":11.653369183558167,"formula_full":"Ce2 Si3 Ni1","formula_reduced":"Ce2Si3Ni","formula_anonymous":"AB2C3","energy_above_hull":2.614196533333333,"spacegroup":187},{"id":"jvasp-103723","created_at":"2022-09-04T14:37:06.085866Z","updated_at":"2022-09-04T14:37:06.085893Z","structure_string":"Cu2 Se1\n1.0\n3.585128 0.032862 -2.403142\n-0.976430 3.404643 -2.466637\n-0.014269 -0.032862 4.316020\nCu Se\n2 1\ndirect\n0.321914 0.698651 0.623262 Cu\n0.924610 0.301348 0.623263 Cu\n0.949476 0.000000 0.949476 Se\n","nsites":3,"nelements":2,"elements":["Cu","Se"],"chemical_system":"Cu-Se","density":6.537597193982307,"density_atomic":0.05732096346739857,"volume":52.33687325765655,"volume_molar":10.506000589862914,"formula_full":"Cu2 Se1","formula_reduced":"Cu2Se","formula_anonymous":"AB2","energy_above_hull":0.1580114222222222,"spacegroup":44},{"id":"jvasp-103717","created_at":"2022-09-04T14:36:41.796012Z","updated_at":"2022-09-04T14:36:41.796032Z","structure_string":"Hf3 Sc1 Si4\n1.0\n3.747948 -0.000000 0.000000\n0.000000 5.276759 0.024625\n0.000000 0.000288 7.020840\nHf Sc Si\n3 1 4\ndirect\n-0.000000 0.877926 0.822818 Hf\n0.500000 0.374016 0.679157 Hf\n0.500000 0.123865 0.174682 Hf\n-0.000000 0.625074 0.324055 Sc\n-0.000000 0.142460 0.456968 Si\n-0.000000 0.359240 0.956250 Si\n0.500000 0.856826 0.542325 Si\n0.500000 0.640595 0.043749 Si\n","nsites":8,"nelements":3,"elements":["Hf","Sc","Si"],"chemical_system":"Hf-Sc-Si","density":8.284895826669215,"density_atomic":0.0576156118124368,"volume":138.8512548654935,"volume_molar":10.45227251878296,"formula_full":"Hf3 Sc1 Si4","formula_reduced":"Hf3ScSi4","formula_anonymous":"AB3C4","energy_above_hull":4.503881081249999,"spacegroup":6},{"id":"jvasp-103716","created_at":"2022-09-04T14:37:03.790848Z","updated_at":"2022-09-04T14:37:03.790877Z","structure_string":"Hf4 Ag1 Pd1\n1.0\n3.229815 -0.000000 0.000000\n0.000000 3.229815 0.000000\n-0.000000 -0.000000 11.461959\nHf Ag Pd\n4 1 1\ndirect\n0.500001 0.500001 0.170309 Hf\n0.000000 0.000000 0.653806 Hf\n0.000000 0.000000 0.346194 Hf\n0.500001 0.500001 0.829691 Hf\n0.000000 0.000000 0.000000 Ag\n0.500001 0.500001 0.500000 Pd\n","nsites":6,"nelements":3,"elements":["Hf","Ag","Pd"],"chemical_system":"Ag-Hf-Pd","density":12.891369846013516,"density_atomic":0.05018074508223649,"volume":119.56777425618465,"volume_molar":12.000899448844136,"formula_full":"Hf4 Ag1 Pd1","formula_reduced":"Hf4AgPd","formula_anonymous":"ABC4","energy_above_hull":4.255210826666667,"spacegroup":123},{"id":"jvasp-103715","created_at":"2022-09-04T14:37:02.631560Z","updated_at":"2022-09-04T14:37:02.631582Z","structure_string":"Hf1 Te1 Se1\n1.0\n3.864515 -0.000000 0.000000\n-1.932257 3.346769 0.000000\n-0.000000 -0.000000 6.546188\nHf Te Se\n1 1 1\ndirect\n0.000000 0.000000 0.981111 Hf\n0.666667 0.333333 0.264885 Te\n0.333333 0.666667 0.754004 Se\n","nsites":3,"nelements":3,"elements":["Hf","Te","Se"],"chemical_system":"Hf-Se-Te","density":7.551913668707544,"density_atomic":0.03543333629609762,"volume":84.6660324314535,"volume_molar":16.995692163097935,"formula_full":"Hf1 Te1 Se1","formula_reduced":"HfTeSe","formula_anonymous":"ABC","energy_above_hull":1.930564711111112,"spacegroup":156},{"id":"jvasp-103714","created_at":"2022-09-04T14:37:01.374465Z","updated_at":"2022-09-04T14:37:01.374483Z","structure_string":"Hf1 U1 Ta2 C4\n1.0\n3.198753 -0.000439 10.626626\n1.564334 2.790139 10.626626\n-0.000749 -0.000439 11.097621\nHf U Ta C\n1 1 2 4\ndirect\n0.995656 0.995658 0.995662 Hf\n0.750875 0.750876 0.750879 U\n0.503987 0.503988 0.503990 Ta\n0.249033 0.249033 0.249034 Ta\n0.876847 0.876848 0.876851 C\n0.620351 0.620352 0.620354 C\n0.370247 0.370247 0.370249 C\n0.132995 0.132995 0.132995 C\n","nsites":8,"nelements":4,"elements":["Hf","U","Ta","C"],"chemical_system":"C-Hf-Ta-U","density":13.850611955238302,"density_atomic":0.08074011100453475,"volume":99.08334160638795,"volume_molar":7.458672876560409,"formula_full":"Hf1 U1 Ta2 C4","formula_reduced":"HfU(TaC2)2","formula_anonymous":"ABC2D4","energy_above_hull":7.047895925,"spacegroup":160},{"id":"jvasp-103713","created_at":"2022-09-04T14:37:00.307530Z","updated_at":"2022-09-04T14:37:00.307556Z","structure_string":"In2 Cu1 Te3 Cl1\n1.0\n5.482348 -0.094595 -2.338059\n-1.138585 5.668319 -2.695539\n0.142024 -0.074311 7.527617\nIn Cu Te Cl\n2 1 3 1\ndirect\n0.029386 -0.003963 0.006417 In\n0.760509 0.243519 0.529319 In\n0.438623 0.553206 0.953503 Cu\n0.581472 0.652579 0.717284 Te\n0.193968 0.127177 0.755618 Te\n0.365555 0.840128 0.276163 Te\n0.880488 0.337352 0.261696 Cl\n","nsites":7,"nelements":4,"elements":["In","Cu","Te","Cl"],"chemical_system":"Cl-Cu-In-Te","density":5.054237620376654,"density_atomic":0.029948106680778852,"volume":233.73764741170453,"volume_molar":20.108585908921917,"formula_full":"In2 Cu1 Te3 Cl1","formula_reduced":"In2CuTe3Cl","formula_anonymous":"ABC2D3","energy_above_hull":0.1803125367857143,"spacegroup":1},{"id":"jvasp-103712","created_at":"2022-09-04T14:36:59.523923Z","updated_at":"2022-09-04T14:36:59.523951Z","structure_string":"In6 Co2\n1.0\n6.671610 0.060462 0.000000\n0.007637 6.671880 0.000000\n0.000000 0.000000 3.854714\nIn Co\n6 2\ndirect\n0.000000 0.500000 -0.000000 In\n0.500000 -0.000000 -0.000000 In\n0.845753 0.154247 0.499999 In\n0.154248 0.845753 0.499999 In\n0.342422 0.342422 0.499999 In\n0.657579 0.657578 0.499999 In\n0.359149 0.640851 -0.000000 Co\n0.640851 0.359149 -0.000000 Co\n","nsites":8,"nelements":2,"elements":["In","Co"],"chemical_system":"Co-In","density":7.807907644664829,"density_atomic":0.046625494786467755,"volume":171.57994862334118,"volume_molar":12.91598252754161,"formula_full":"In6 Co2","formula_reduced":"In3Co","formula_anonymous":"AB3","energy_above_hull":0.4631452025000001,"spacegroup":65},{"id":"jvasp-103711","created_at":"2022-09-04T14:36:39.689688Z","updated_at":"2022-09-04T14:36:39.689711Z","structure_string":"In2 Cu1 Ag1 Se4\n1.0\n5.494175 0.046331 -4.878344\n-1.079501 5.387280 -4.878344\n-0.037643 -0.046331 7.347298\nIn Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500001 Ag\n0.116267 0.116795 0.469469 Se\n0.647326 0.646798 0.530532 Se\n0.353202 0.883733 0.000529 Se\n0.883205 0.352674 0.999472 Se\n","nsites":8,"nelements":4,"elements":["In","Cu","Ag","Se"],"chemical_system":"Ag-Cu-In-Se","density":5.527316812917269,"density_atomic":0.03714519170049239,"volume":215.37107856395727,"volume_molar":16.21243688431462,"formula_full":"In2 Cu1 Ag1 Se4","formula_reduced":"In2CuAgSe4","formula_anonymous":"ABC2D4","energy_above_hull":0.5143276395833333,"spacegroup":82}]}