{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=4634","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=4632","results":[{"id":"jvasp-117486","created_at":"2022-09-04T14:38:45.295746Z","updated_at":"2022-09-04T14:38:45.295780Z","structure_string":"B2 H1\n1.0\n2.231167 -0.051495 0.207267\n-0.084502 -3.574238 0.021450\n-0.911741 -1.348281 -2.639544\nB H\n2 1\ndirect\n0.356499 0.698951 0.423119 B\n0.120403 0.553121 -0.049062 B\n0.238313 0.126043 0.186894 H\n","nsites":3,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":1.8353220481900252,"density_atomic":0.14652139225227329,"volume":20.4748259205369,"volume_molar":4.110076124332326,"formula_full":"B2 H1","formula_reduced":"B2H","formula_anonymous":"AB2","energy_above_hull":3.5180217222222225,"spacegroup":12},{"id":"jvasp-85226","created_at":"2022-09-04T14:37:16.840998Z","updated_at":"2022-09-04T14:37:16.841020Z","structure_string":"La1 Fe5 H12\n1.0\n5.783580 0.000000 -0.000000\n-2.891790 5.008727 0.000000\n0.000000 0.000000 4.232602\nLa Fe H\n1 5 12\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.574275 0.787137 0.734680 H\n0.787137 0.212863 0.734680 H\n0.212863 0.425726 0.734680 H\n0.425725 0.212863 0.734680 H\n0.425725 0.212863 0.265319 H\n0.212863 0.787137 0.265319 H\n0.787137 0.212863 0.265319 H\n0.787137 0.574275 0.265319 H\n0.212863 0.425726 0.265319 H\n0.787137 0.574275 0.734680 H\n0.574275 0.787137 0.265319 H\n0.212863 0.787137 0.734680 H\n","nsites":18,"nelements":3,"elements":["La","Fe","H"],"chemical_system":"Fe-H-La","density":5.82658325771068,"density_atomic":0.14680503938189202,"volume":122.61159477758532,"volume_molar":4.102134903103888,"formula_full":"La1 Fe5 H12","formula_reduced":"LaFe5H12","formula_anonymous":"AB5C12","energy_above_hull":3.4825334722222228,"spacegroup":191},{"id":"jvasp-37915","created_at":"2022-09-04T14:38:06.284589Z","updated_at":"2022-09-04T14:38:06.284619Z","structure_string":"B2 C2\n1.0\n1.300592 -2.252692 0.000000\n1.300592 2.252692 -0.000000\n-0.000000 0.000000 4.647008\nB C\n2 2\ndirect\n0.333332 0.666666 0.019395 B\n0.666666 0.333332 0.519395 B\n0.333332 0.666666 0.355606 C\n0.666666 0.333332 0.855606 C\n","nsites":4,"nelements":2,"elements":["B","C"],"chemical_system":"B-C","density":2.783433016104886,"density_atomic":0.14689725502313705,"volume":27.229916579244314,"volume_molar":4.0995597630816745,"formula_full":"B2 C2","formula_reduced":"BC","formula_anonymous":"AB","energy_above_hull":3.7084962916666666,"spacegroup":186},{"id":"jvasp-1330","created_at":"2022-09-04T14:36:00.648388Z","updated_at":"2022-09-04T14:36:00.648424Z","structure_string":"Be2 C1\n1.0\n2.652906 0.000000 1.531656\n0.884302 2.501184 1.531656\n0.000000 0.000000 3.063313\nBe C\n2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750001 0.749999 0.750001 Be\n0.000000 0.000000 0.000000 C\n","nsites":3,"nelements":2,"elements":["Be","C"],"chemical_system":"Be-C","density":2.453684849818996,"density_atomic":0.14759185015949233,"volume":20.32632558476709,"volume_molar":4.080266460168557,"formula_full":"Be2 C1","formula_reduced":"Be2C","formula_anonymous":"AB2","energy_above_hull":2.757504066666667,"spacegroup":225},{"id":"jvasp-37958","created_at":"2022-09-04T14:37:59.827069Z","updated_at":"2022-09-04T14:37:59.827093Z","structure_string":"Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n","nsites":28,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.731149669931186,"density_atomic":0.1475978485454111,"volume":189.70466220166685,"volume_molar":4.080100637881032,"formula_full":"Al4 H12 O12","formula_reduced":"Al(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.4468447571428573,"spacegroup":19},{"id":"jvasp-79011","created_at":"2022-09-04T14:37:10.662563Z","updated_at":"2022-09-04T14:37:10.662589Z","structure_string":"Sc1 H3\n1.0\n-1.684015 1.684015 2.384637\n1.684015 -1.684015 2.384637\n1.684015 1.684015 -2.384637\nSc H\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250001 0.499999 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Sc","H"],"chemical_system":"H-Sc","density":2.945321683111062,"density_atomic":0.14787195364329678,"volume":27.050430466679135,"volume_molar":4.072537497223356,"formula_full":"Sc1 H3","formula_reduced":"ScH3","formula_anonymous":"AB3","energy_above_hull":2.4597188125,"spacegroup":225},{"id":"jvasp-54742","created_at":"2022-09-04T14:38:18.847690Z","updated_at":"2022-09-04T14:38:18.847717Z","structure_string":"Be4 H8 O8\n1.0\n4.807069 0.000000 0.000000\n0.000000 4.806342 0.000000\n0.000000 0.000000 5.851816\nBe H O\n4 8 8\ndirect\n0.080637 0.669151 0.874996 Be\n0.580637 0.830848 0.125005 Be\n0.419363 0.330848 0.374995 Be\n0.919363 0.169151 0.625005 Be\n0.825322 0.742623 0.553274 H\n0.325322 0.757376 0.446727 H\n0.174678 0.242624 0.946727 H\n0.674678 0.257376 0.053274 H\n0.492812 0.075835 0.696785 H\n0.507189 0.575835 0.803217 H\n0.007188 0.924165 0.196784 H\n-0.007188 0.424165 0.303216 H\n0.474199 0.668938 0.356627 O\n0.918598 0.775430 0.106613 O\n0.418597 0.724569 0.893388 O\n0.581403 0.224570 0.606614 O\n0.081403 0.275430 0.393387 O\n0.025801 0.331062 0.856628 O\n0.525801 0.168938 0.143373 O\n0.974199 0.831062 0.643374 O\n","nsites":20,"nelements":3,"elements":["Be","H","O"],"chemical_system":"Be-H-O","density":2.1137960118797943,"density_atomic":0.14792592968859575,"volume":135.2028007672673,"volume_molar":4.071051486833599,"formula_full":"Be4 H8 O8","formula_reduced":"Be(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.15324062,"spacegroup":92},{"id":"jvasp-53982","created_at":"2022-09-04T14:35:45.493630Z","updated_at":"2022-09-04T14:35:45.493656Z","structure_string":"B4 N4\n1.0\n2.590151 -0.000000 0.000000\n-0.000000 4.296621 0.000000\n0.000000 0.000000 4.859099\nB N\n4 4\ndirect\n0.750000 0.091787 0.661427 B\n0.250000 0.591787 0.838573 B\n0.750000 0.408213 0.161427 B\n0.250000 0.908212 0.338573 B\n0.750000 0.393055 0.820108 N\n0.250000 0.606944 0.179892 N\n0.250000 0.893055 0.679892 N\n0.750000 0.106944 0.320108 N\n","nsites":8,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":3.0483353452649777,"density_atomic":0.1479388060876943,"volume":54.07641315732808,"volume_molar":4.070697147866822,"formula_full":"B4 N4","formula_reduced":"BN","formula_anonymous":"AB","energy_above_hull":2.6479529166666667,"spacegroup":62},{"id":"jvasp-51882","created_at":"2022-09-04T14:37:04.415314Z","updated_at":"2022-09-04T14:37:04.415341Z","structure_string":"B4 N4\n1.0\n2.590151 -0.000000 0.000000\n-0.000000 4.296621 0.000000\n0.000000 0.000000 4.859099\nB N\n4 4\ndirect\n0.750000 0.091787 0.661427 B\n0.250000 0.591787 0.838573 B\n0.750000 0.408213 0.161427 B\n0.250000 0.908212 0.338573 B\n0.750000 0.393055 0.820108 N\n0.250000 0.606944 0.179892 N\n0.250000 0.893055 0.679892 N\n0.750000 0.106944 0.320108 N\n","nsites":8,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":3.0483353452649777,"density_atomic":0.1479388060876943,"volume":54.07641315732808,"volume_molar":4.070697147866822,"formula_full":"B4 N4","formula_reduced":"BN","formula_anonymous":"AB","energy_above_hull":2.6479529166666667,"spacegroup":62},{"id":"jvasp-54737","created_at":"2022-09-04T14:37:52.489836Z","updated_at":"2022-09-04T14:37:52.489856Z","structure_string":"Be4 H8 O8\n1.0\n4.808533 0.000000 0.000000\n0.000000 4.810050 0.000000\n0.000000 0.000000 5.844828\nBe H O\n4 8 8\ndirect\n0.080811 0.169316 0.874994 Be\n0.580811 0.330684 0.125007 Be\n0.419188 0.830684 0.374993 Be\n0.919188 0.669316 0.625007 Be\n0.825598 0.243045 0.553069 H\n0.325599 0.256955 0.446931 H\n0.174401 0.743045 0.946931 H\n0.674401 0.756955 0.053069 H\n0.492820 0.575319 0.696869 H\n0.507180 0.075319 0.803131 H\n0.007180 0.424682 0.196869 H\n-0.007180 0.924682 0.303131 H\n0.474454 0.168544 0.356765 O\n0.918792 0.275795 0.106761 O\n0.418792 0.224205 0.893240 O\n0.581207 0.724205 0.606761 O\n0.081207 0.775795 0.393239 O\n0.025546 0.831456 0.856765 O\n0.525545 0.668544 0.143235 O\n0.974454 0.331456 0.643236 O\n","nsites":20,"nelements":3,"elements":["Be","H","O"],"chemical_system":"Be-H-O","density":2.1140479584665823,"density_atomic":0.1479435612069036,"volume":135.18668765874432,"volume_molar":4.070566309795566,"formula_full":"Be4 H8 O8","formula_reduced":"Be(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.15326462,"spacegroup":92},{"id":"jvasp-18397","created_at":"2022-09-04T14:38:14.250345Z","updated_at":"2022-09-04T14:38:14.250366Z","structure_string":"Cr1 H1\n1.0\n2.314177 0.000000 1.336091\n0.771392 2.181827 1.336091\n0.000000 0.000000 2.672181\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.499999 H\n","nsites":2,"nelements":2,"elements":["Cr","H"],"chemical_system":"Cr-H","density":6.523419598528154,"density_atomic":0.14823379905552586,"volume":13.4921995708336,"volume_molar":4.0625962488785765,"formula_full":"Cr1 H1","formula_reduced":"CrH","formula_anonymous":"AB","energy_above_hull":2.4798137,"spacegroup":225},{"id":"jvasp-115624","created_at":"2022-09-04T14:38:45.236470Z","updated_at":"2022-09-04T14:38:45.236501Z","structure_string":"Be2 C1\n1.0\n2.971897 -0.614304 0.360426\n-0.426591 -2.773940 -1.209645\n-1.295977 -0.283518 -2.752899\nBe C\n2 1\ndirect\n0.479660 0.110888 0.602325 Be\n-0.020368 0.610922 0.602278 Be\n0.229655 0.860988 0.102259 C\n","nsites":3,"nelements":2,"elements":["Be","C"],"chemical_system":"Be-C","density":2.471285919612141,"density_atomic":0.14865057392173436,"volume":20.18155679358172,"volume_molar":4.051205858896113,"formula_full":"Be2 C1","formula_reduced":"Be2C","formula_anonymous":"AB2","energy_above_hull":2.738330733333333,"spacegroup":225}]}