{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3392","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3390","results":[{"id":"jvasp-11398","created_at":"2022-09-04T14:37:35.942746Z","updated_at":"2022-09-04T14:37:35.942772Z","structure_string":"As8 Ir4\n1.0\n0.000000 6.159130 -0.002903\n6.163605 0.000000 0.000000\n0.000000 -2.447890 -5.760492\nAs Ir\n8 4\ndirect\n0.846066 0.126879 0.126173 As\n0.153934 0.626879 0.373826 As\n0.153934 0.873120 0.873826 As\n0.846066 0.373121 0.626173 As\n0.661566 0.629525 0.816363 As\n0.338433 0.129525 0.683635 As\n0.338433 0.370475 0.183636 As\n0.661566 0.870474 0.316364 As\n0.727908 0.500177 0.208843 Ir\n0.272092 0.000177 0.291156 Ir\n0.272092 0.499822 0.791156 Ir\n0.727908 0.999822 0.708843 Ir\n","nsites":12,"nelements":2,"elements":["As","Ir"],"chemical_system":"As-Ir","density":10.387496977480033,"density_atomic":0.05486312260012446,"volume":218.72615759520727,"volume_molar":10.976664241102343,"formula_full":"As8 Ir4","formula_reduced":"As2Ir","formula_anonymous":"AB2","energy_above_hull":2.5931181999999997,"spacegroup":14},{"id":"jvasp-29080","created_at":"2022-09-04T14:37:34.076048Z","updated_at":"2022-09-04T14:37:34.076072Z","structure_string":"Te4 Mo2 W2 Se2 S2\n1.0\n3.404655 0.000000 0.000000\n-1.702328 2.948515 -0.000020\n0.000000 -0.000183 37.326241\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333361 0.666722 0.328861 Te\n0.666654 0.333305 0.424520 Te\n0.666690 0.333377 0.525093 Te\n0.333328 0.666658 0.227884 Te\n0.333297 0.666595 0.094913 Mo\n0.333339 0.666676 0.474792 Mo\n0.666679 0.333357 0.278348 W\n0.666684 0.333367 0.654818 W\n0.666533 0.333065 0.050833 Se\n0.666730 0.333461 0.139091 Se\n0.333241 0.666482 0.695194 S\n0.333464 0.666928 0.614400 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.725642984438063,"density_atomic":0.03202510321657721,"volume":374.70605227552926,"volume_molar":18.80443825355963,"formula_full":"Te4 Mo2 W2 Se2 S2","formula_reduced":"Te2MoWSeS","formula_anonymous":"ABCDE2","energy_above_hull":3.4625158,"spacegroup":156},{"id":"jvasp-23551","created_at":"2022-09-04T14:37:35.965134Z","updated_at":"2022-09-04T14:37:35.965143Z","structure_string":"Nb4 Si4 Ir4\n1.0\n3.831028 0.000000 0.000000\n0.000000 6.488703 0.000000\n0.000000 0.000000 7.345017\nNb Si Ir\n4 4 4\ndirect\n0.750000 0.523851 0.828261 Nb\n0.250000 0.976148 0.328261 Nb\n0.750000 0.023851 0.671740 Nb\n0.250000 0.476148 0.171740 Nb\n0.250000 0.229956 0.875976 Si\n0.250000 0.729955 0.624024 Si\n0.750000 0.770044 0.124024 Si\n0.750000 0.270044 0.375976 Si\n0.250000 0.853496 0.936022 Ir\n0.250000 0.353496 0.563979 Ir\n0.750000 0.646503 0.436022 Ir\n0.750000 0.146503 0.063978 Ir\n","nsites":12,"nelements":3,"elements":["Nb","Si","Ir"],"chemical_system":"Ir-Nb-Si","density":11.394023943331709,"density_atomic":0.06572267302887407,"volume":182.58539172209288,"volume_molar":9.162957747251516,"formula_full":"Nb4 Si4 Ir4","formula_reduced":"NbSiIr","formula_anonymous":"ABC","energy_above_hull":3.6619797,"spacegroup":62},{"id":"jvasp-28919","created_at":"2022-09-04T14:37:35.975043Z","updated_at":"2022-09-04T14:37:35.975071Z","structure_string":"Te4 Mo1 W3 Se4\n1.0\n3.449258 0.000001 0.000000\n-1.724629 2.987132 0.000012\n-0.000000 0.000165 39.013236\nTe Mo W Se\n4 1 3 4\ndirect\n0.333358 0.666717 0.705231 Te\n0.666646 0.333292 0.421731 Te\n0.666646 0.333292 0.517376 Te\n0.333354 0.666709 0.609826 Te\n0.666685 0.333371 0.281786 Mo\n0.333315 0.666629 0.093937 W\n0.333314 0.666627 0.469576 W\n0.666686 0.333373 0.657604 W\n0.333355 0.666710 0.323703 Se\n0.666645 0.333288 0.052066 Se\n0.666646 0.333292 0.136001 Se\n0.333352 0.666705 0.239912 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":6.087879376551004,"density_atomic":0.029853077191961043,"volume":401.9686119068291,"volume_molar":20.172596350039473,"formula_full":"Te4 Mo1 W3 Se4","formula_reduced":"Te4MoW3Se4","formula_anonymous":"AB3C4D4","energy_above_hull":3.9414092027777774,"spacegroup":156},{"id":"jvasp-23503","created_at":"2022-09-04T14:37:36.273927Z","updated_at":"2022-09-04T14:37:36.273937Z","structure_string":"U2 Ga6 Pd4\n1.0\n2.649259 -4.588651 -0.000000\n2.649259 4.588651 0.000000\n0.000000 -0.000000 8.582916\nU Ga Pd\n2 6 4\ndirect\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500006 0.000012 0.250000 Ga\n0.000012 0.500006 0.750000 Ga\n0.499994 0.500006 0.750000 Ga\n0.500006 0.499994 0.250000 Ga\n0.499995 0.999989 0.750000 Ga\n0.999989 0.499995 0.250000 Ga\n0.666667 0.333333 0.999986 Pd\n0.333333 0.666667 0.000015 Pd\n0.333333 0.666667 0.499985 Pd\n0.666667 0.333333 0.500015 Pd\n","nsites":12,"nelements":3,"elements":["U","Ga","Pd"],"chemical_system":"Ga-Pd-U","density":10.504458499980522,"density_atomic":0.057505176679614266,"volume":208.67686516045487,"volume_molar":10.472345461264993,"formula_full":"U2 Ga6 Pd4","formula_reduced":"UGa3Pd2","formula_anonymous":"AB2C3","energy_above_hull":1.4147890625000006,"spacegroup":191},{"id":"jvasp-23800","created_at":"2022-09-04T14:37:36.993295Z","updated_at":"2022-09-04T14:37:36.993318Z","structure_string":"Mo4 P4 Ru4\n1.0\n3.917085 -0.000000 0.000000\n-0.000000 6.038147 0.000000\n0.000000 0.000000 6.993715\nMo P Ru\n4 4 4\ndirect\n0.750001 0.975076 0.829711 Mo\n0.250000 0.024925 0.170289 Mo\n0.750001 0.475076 0.670288 Mo\n0.250000 0.524925 0.329711 Mo\n0.250000 0.253483 0.884853 P\n0.750001 0.746518 0.115146 P\n0.250000 0.753483 0.615146 P\n0.750001 0.246518 0.384854 P\n0.250000 0.640119 0.930699 Ru\n0.750001 0.359882 0.069300 Ru\n0.250000 0.140118 0.569300 Ru\n0.750001 0.859882 0.430700 Ru\n","nsites":12,"nelements":3,"elements":["Mo","P","Ru"],"chemical_system":"Mo-P-Ru","density":9.154579415747826,"density_atomic":0.07254485851402492,"volume":165.4148928787292,"volume_molar":8.30126473930024,"formula_full":"Mo4 P4 Ru4","formula_reduced":"MoPRu","formula_anonymous":"ABC","energy_above_hull":3.8313573,"spacegroup":62},{"id":"jvasp-23703","created_at":"2022-09-04T14:37:36.025969Z","updated_at":"2022-09-04T14:37:36.025991Z","structure_string":"P4 Ru8\n1.0\n3.905998 -0.000000 0.000000\n-0.000000 5.914615 0.000000\n0.000000 0.000000 7.009475\nP Ru\n4 8\ndirect\n0.250000 0.749124 0.610408 P\n0.750000 0.250877 0.389593 P\n0.250000 0.249123 0.889594 P\n0.750000 0.750877 0.110407 P\n0.750000 0.016219 0.653339 Ru\n0.250000 0.983782 0.346662 Ru\n0.750000 0.516219 0.846662 Ru\n0.250000 0.483781 0.153338 Ru\n0.250000 0.360948 0.577820 Ru\n0.750000 0.639052 0.422180 Ru\n0.250000 0.860949 0.922181 Ru\n0.750000 0.139052 0.077820 Ru\n","nsites":12,"nelements":2,"elements":["P","Ru"],"chemical_system":"P-Ru","density":9.561653772117285,"density_atomic":0.07410325041295619,"volume":161.93621646995828,"volume_molar":8.126689081032659,"formula_full":"P4 Ru8","formula_reduced":"PRu2","formula_anonymous":"AB2","energy_above_hull":3.434162166666668,"spacegroup":62},{"id":"jvasp-56635","created_at":"2022-09-04T14:37:36.050463Z","updated_at":"2022-09-04T14:37:36.050484Z","structure_string":"Na1 Fe1 Se2 O8\n1.0\n4.968414 -0.039948 0.160245\n1.918548 4.583221 0.160245\n-0.018049 -0.011907 7.047957\nNa Fe Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.365592 0.365591 0.769963 Se\n0.634408 0.634407 0.230039 Se\n0.763067 0.267512 0.210722 O\n0.284398 0.284397 0.562280 O\n0.236933 0.732487 0.789280 O\n0.267513 0.763067 0.210722 O\n0.763079 0.763078 0.039044 O\n0.732487 0.236932 0.789280 O\n0.236921 0.236920 0.960958 O\n0.715602 0.715601 0.437722 O\n","nsites":12,"nelements":4,"elements":["Na","Fe","Se","O"],"chemical_system":"Fe-Na-O-Se","density":3.7608111286093626,"density_atomic":0.07451065958676235,"volume":161.050782083426,"volume_molar":8.082253993453978,"formula_full":"Na1 Fe1 Se2 O8","formula_reduced":"NaFe(SeO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.438994936111111,"spacegroup":12},{"id":"jvasp-29199","created_at":"2022-09-04T14:37:36.064762Z","updated_at":"2022-09-04T14:37:36.064777Z","structure_string":"Te6 Mo4 Se2\n1.0\n3.505187 0.000000 0.000000\n-1.752594 3.035605 -0.000022\n0.000000 -0.000231 37.318851\nTe Mo Se\n6 4 2\ndirect\n0.333395 0.666790 0.325867 Te\n0.333183 0.666365 0.711243 Te\n0.666622 0.333240 0.420225 Te\n0.666621 0.333240 0.518603 Te\n0.333393 0.666784 0.227502 Te\n0.333181 0.666361 0.612924 Te\n0.333474 0.666946 0.094692 Mo\n0.333287 0.666573 0.469418 Mo\n0.666728 0.333452 0.276682 Mo\n0.666512 0.333023 0.662129 Mo\n0.666789 0.333576 0.051409 Se\n0.666832 0.333660 0.138054 Se\n","nsites":12,"nelements":3,"elements":["Te","Mo","Se"],"chemical_system":"Mo-Se-Te","density":5.466797646213142,"density_atomic":0.03022014406398871,"volume":397.0861281994874,"volume_molar":19.92757131550599,"formula_full":"Te6 Mo4 Se2","formula_reduced":"Te3Mo2Se","formula_anonymous":"AB2C3","energy_above_hull":2.926624744444444,"spacegroup":156},{"id":"jvasp-20767","created_at":"2022-09-04T14:37:36.082299Z","updated_at":"2022-09-04T14:37:36.082324Z","structure_string":"Ti4 Fe8\n1.0\n2.348367 -4.067489 -0.000000\n2.348367 4.067489 0.000000\n-0.000000 0.000000 7.712854\nTi Fe\n4 8\ndirect\n0.333334 0.666668 0.435084 Ti\n0.666668 0.333334 0.935084 Ti\n0.666668 0.333334 0.564916 Ti\n0.333334 0.666668 0.064916 Ti\n0.658602 0.829302 0.750000 Fe\n0.341399 0.170700 0.250000 Fe\n0.829301 0.170700 0.250000 Fe\n0.170700 0.341399 0.750000 Fe\n0.170700 0.829301 0.750000 Fe\n0.829302 0.658602 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n","nsites":12,"nelements":2,"elements":["Ti","Fe"],"chemical_system":"Fe-Ti","density":7.192626167740782,"density_atomic":0.08144112868347318,"volume":147.34569859215563,"volume_molar":7.394471144187459,"formula_full":"Ti4 Fe8","formula_reduced":"TiFe2","formula_anonymous":"AB2","energy_above_hull":3.056659777777778,"spacegroup":194},{"id":"jvasp-828","created_at":"2022-09-04T14:37:52.249025Z","updated_at":"2022-09-04T14:37:52.249047Z","structure_string":"B12\n1.0\n4.286671 -0.004447 2.664594\n1.478909 4.023480 2.664594\n-0.006380 -0.004447 5.047333\nB\n12\ndirect\n0.009804 0.654471 0.009803 B\n0.009804 0.009803 0.654470 B\n0.654471 0.009803 0.009804 B\n0.345530 0.990195 0.990195 B\n0.990196 0.345528 0.990195 B\n0.990196 0.990195 0.345528 B\n0.220638 0.631586 0.220637 B\n0.220638 0.220637 0.631586 B\n0.631587 0.220637 0.220637 B\n0.368414 0.779361 0.779361 B\n0.779363 0.368412 0.779361 B\n0.779362 0.779361 0.368412 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