{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=525","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=523","results":[{"id":"jvasp-123650","created_at":"2022-09-04T14:38:52.448890Z","updated_at":"2022-09-04T14:38:52.448918Z","structure_string":"Ca1 Se2\n1.0\n2.385590 -3.907934 -1.001012\n2.191577 3.795921 -0.000001\n-1.159992 0.669721 5.514774\nCa Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Ca\n0.804720 0.735684 0.428224 Se\n0.195280 -0.069037 0.905109 Se\n","nsites":3,"nelements":2,"elements":["Ca","Se"],"chemical_system":"Ca-Se","density":3.601382648053306,"density_atomic":0.0328609883605291,"volume":91.29366308420117,"volume_molar":18.326109652969176,"formula_full":"Ca1 Se2","formula_reduced":"CaSe2","formula_anonymous":"AB2","energy_above_hull":0.7836177888888889,"spacegroup":12},{"id":"jvasp-36395","created_at":"2022-09-04T14:36:39.548936Z","updated_at":"2022-09-04T14:36:39.548957Z","structure_string":"Ca2 Ge1\n1.0\n3.573807 3.573807 -0.000000\n3.573807 -0.000000 -3.573807\n0.000000 3.573807 -3.573807\nCa Ge\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Ca\n0.000000 0.000000 0.000000 Ge\n","nsites":3,"nelements":2,"elements":["Ca","Ge"],"chemical_system":"Ca-Ge","density":2.779315193008814,"density_atomic":0.03286230133214824,"volume":91.29001556154518,"volume_molar":18.32537745647385,"formula_full":"Ca2 Ge1","formula_reduced":"Ca2Ge","formula_anonymous":"AB2","energy_above_hull":0.0354105555555556,"spacegroup":225},{"id":"jvasp-29025","created_at":"2022-09-04T14:35:52.777675Z","updated_at":"2022-09-04T14:35:52.777698Z","structure_string":"Te4 Mo2 W2 Se4\n1.0\n3.441202 0.000043 -0.000040\n-1.720564 2.979411 0.000046\n-0.000431 0.000322 35.612423\nTe Mo W Se\n4 2 2 4\ndirect\n0.333328 0.666605 0.712767 Te\n0.666672 0.333393 0.038691 Te\n0.666653 0.333332 0.143106 Te\n0.333347 0.666666 0.608352 Te\n0.333338 0.666583 0.090853 Mo\n0.666662 0.333415 0.660605 Mo\n0.333303 0.666743 0.467164 W\n0.666697 0.333255 0.284294 W\n0.333329 0.666716 0.330417 Se\n0.666671 0.333282 0.421041 Se\n0.666696 0.333378 0.513316 Se\n0.333304 0.666621 0.238142 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":6.302377513984092,"density_atomic":0.03286517926828151,"volume":365.1280859307928,"volume_molar":18.32377274087175,"formula_full":"Te4 Mo2 W2 Se4","formula_reduced":"Te2MoWSe2","formula_anonymous":"ABC2D2","energy_above_hull":3.375794694444445,"spacegroup":164},{"id":"jvasp-37648","created_at":"2022-09-04T14:38:00.492654Z","updated_at":"2022-09-04T14:38:00.492680Z","structure_string":"Hg1 Bi3\n1.0\n4.955693 0.000000 0.000000\n-0.000000 4.955693 0.000000\n0.000000 0.000000 4.955693\nHg Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n","nsites":4,"nelements":2,"elements":["Hg","Bi"],"chemical_system":"Bi-Hg","density":11.290684992763762,"density_atomic":0.032865996751175186,"volume":121.70633467420922,"volume_molar":18.323316969793918,"formula_full":"Hg1 Bi3","formula_reduced":"HgBi3","formula_anonymous":"AB3","energy_above_hull":0.6214478666666667,"spacegroup":221},{"id":"jvasp-25373","created_at":"2022-09-04T14:37:55.337066Z","updated_at":"2022-09-04T14:37:55.337087Z","structure_string":"Tl4\n1.0\n3.515313 0.000000 -0.000000\n-1.757657 3.044352 0.000000\n0.000000 0.000000 11.369980\nTl\n4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666668 0.250000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666665 0.333334 0.750000 Tl\n","nsites":4,"nelements":1,"elements":["Tl"],"chemical_system":"Tl","density":11.156704465084573,"density_atomic":0.03287315780187436,"volume":121.67982230693787,"volume_molar":18.319325439604196,"formula_full":"Tl4","formula_reduced":"Tl","formula_anonymous":"A","energy_above_hull":0.0174625999999999,"spacegroup":194},{"id":"jvasp-18113","created_at":"2022-09-04T14:38:10.073287Z","updated_at":"2022-09-04T14:38:10.073306Z","structure_string":"Nd3 In1\n1.0\n4.955299 -0.000000 -0.000000\n-0.000000 4.955299 -0.000000\n0.000000 0.000000 4.955299\nNd In\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":2,"elements":["Nd","In"],"chemical_system":"In-Nd","density":7.472372744428906,"density_atomic":0.03287383698383276,"volume":121.6773083703976,"volume_molar":18.318946957611512,"formula_full":"Nd3 In1","formula_reduced":"Nd3In","formula_anonymous":"AB3","energy_above_hull":1.0555601666666667,"spacegroup":221},{"id":"jvasp-106968","created_at":"2022-09-04T14:38:46.955176Z","updated_at":"2022-09-04T14:38:46.955208Z","structure_string":"Nd3 Hf1\n1.0\n4.532685 0.008574 -4.020199\n-0.911168 4.440167 -4.020199\n-0.006979 -0.008574 6.058646\nNd Hf\n3 1\ndirect\n0.749999 0.250000 0.500000 Nd\n0.249999 0.750001 0.500000 Nd\n0.499999 0.500000 -0.000001 Nd\n0.000000 0.000000 0.000000 Hf\n","nsites":4,"nelements":2,"elements":["Nd","Hf"],"chemical_system":"Hf-Nd","density":8.341746948805806,"density_atomic":0.0328755623723,"volume":121.67092245303412,"volume_molar":18.317985535280403,"formula_full":"Nd3 Hf1","formula_reduced":"Nd3Hf","formula_anonymous":"AB3","energy_above_hull":2.6366918750000004,"spacegroup":139},{"id":"jvasp-110158","created_at":"2022-09-04T14:38:07.824149Z","updated_at":"2022-09-04T14:38:07.824179Z","structure_string":"Tb2 Te1 S2\n1.0\n5.005257 -0.008025 -5.643798\n-0.469891 4.003714 -6.376096\n0.029409 0.008025 7.543486\nTb Te S\n2 1 2\ndirect\n0.833019 0.333018 0.500000 Tb\n0.166982 0.666982 0.500000 Tb\n0.000000 0.000000 0.000000 Te\n0.701338 0.701336 -0.000002 S\n0.298662 0.298661 -0.000001 S\n","nsites":5,"nelements":3,"elements":["Tb","Te","S"],"chemical_system":"S-Tb-Te","density":5.563906342257449,"density_atomic":0.0328766642654542,"volume":152.08355566820228,"volume_molar":18.3173715903042,"formula_full":"Tb2 Te1 S2","formula_reduced":"Tb2TeS2","formula_anonymous":"AB2C2","energy_above_hull":1.2173649133333333,"spacegroup":71},{"id":"jvasp-102922","created_at":"2022-09-04T14:36:42.028605Z","updated_at":"2022-09-04T14:36:42.028620Z","structure_string":"Cd1 Bi3\n1.0\n4.955130 -0.000000 0.000000\n0.000000 4.955130 -0.000000\n-0.000000 -0.000000 4.955130\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n","nsites":4,"nelements":2,"elements":["Cd","Bi"],"chemical_system":"Bi-Cd","density":10.091025608956535,"density_atomic":0.03287720069049724,"volume":121.66485941597067,"volume_molar":18.31707272371467,"formula_full":"Cd1 Bi3","formula_reduced":"CdBi3","formula_anonymous":"AB3","energy_above_hull":0.6258137000000001,"spacegroup":221},{"id":"jvasp-101673","created_at":"2022-09-04T14:37:10.243297Z","updated_at":"2022-09-04T14:37:10.243320Z","structure_string":"Yb1 U1 Te6\n1.0\n12.887333 0.008729 0.000000\n-12.147886 4.302589 0.000000\n-0.000000 0.000000 4.379798\nYb U Te\n1 1 6\ndirect\n0.171436 0.828564 0.500000 Yb\n0.830751 0.169249 -0.000000 U\n0.424533 0.575468 -0.000000 Te\n0.570788 0.429212 0.500000 Te\n0.709577 0.290423 -0.000000 Te\n0.299516 0.700484 0.500000 Te\n0.068870 0.931130 -0.000000 Te\n0.924530 0.075471 0.500000 Te\n","nsites":8,"nelements":3,"elements":["Yb","U","Te"],"chemical_system":"Te-U-Yb","density":8.030205192556467,"density_atomic":0.03287859523234606,"volume":243.31939802980318,"volume_molar":18.316295807174267,"formula_full":"Yb1 U1 Te6","formula_reduced":"YbUTe6","formula_anonymous":"ABC6","energy_above_hull":1.4680054125000002,"spacegroup":38},{"id":"jvasp-102584","created_at":"2022-09-04T14:36:56.131001Z","updated_at":"2022-09-04T14:36:56.131024Z","structure_string":"Y2 Er6\n1.0\n7.120891 -0.000000 0.000000\n-3.560445 6.166873 0.000000\n0.000000 -0.000000 5.540559\nY Er\n2 6\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.165797 0.331595 0.250000 Er\n0.668404 0.834202 0.250000 Er\n0.165797 0.834202 0.250000 Er\n0.834202 0.668405 0.750000 Er\n0.331595 0.165797 0.750000 Er\n0.834202 0.165797 0.750000 Er\n","nsites":8,"nelements":2,"elements":["Y","Er"],"chemical_system":"Er-Y","density":8.062700508738125,"density_atomic":0.03288039758467616,"volume":243.3060603783083,"volume_molar":18.315291791990393,"formula_full":"Y2 Er6","formula_reduced":"YEr3","formula_anonymous":"AB3","energy_above_hull":1.7483788625,"spacegroup":194},{"id":"jvasp-109849","created_at":"2022-09-04T14:38:08.042222Z","updated_at":"2022-09-04T14:38:08.042243Z","structure_string":"K2 In1 Cu1 Br6\n1.0\n6.537161 -0.000000 3.774232\n2.179054 6.163295 3.774232\n-0.000000 -0.000000 7.548464\nK In Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744502 0.255497 0.255497 Br\n0.255497 0.255497 0.744502 Br\n0.255497 0.744502 0.744502 Br\n0.255497 0.744502 0.255497 Br\n0.744502 0.255497 0.744502 Br\n0.744502 0.744502 0.255497 Br\n","nsites":10,"nelements":4,"elements":["K","In","Cu","Br"],"chemical_system":"Br-Cu-In-K","density":4.018436408318639,"density_atomic":0.032880565292217445,"volume":304.13102424266765,"volume_molar":18.31519837472317,"formula_full":"K2 In1 Cu1 Br6","formula_reduced":"K2InCuBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225}]}