{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=36","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=34","results":[{"id":"jvasp-70426","created_at":"2022-09-04T14:36:05.225862Z","updated_at":"2022-09-04T14:36:05.225892Z","structure_string":"Li2 Be1 Cl2\n1.0\n-2.417380 2.417380 6.343019\n2.417380 -2.417380 6.343019\n2.417380 2.417380 -6.343019\nLi Be Cl\n2 1 2\ndirect\n0.748279 0.748279 0.000000 Li\n0.251721 0.251721 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n","nsites":5,"nelements":3,"elements":["Li","Be","Cl"],"chemical_system":"Be-Cl-Li","density":1.0505262904189014,"density_atomic":0.03372284072524261,"volume":148.26746182913772,"volume_molar":17.857750505259887,"formula_full":"Li2 Be1 Cl2","formula_reduced":"Li2BeCl2","formula_anonymous":"AB2C2","energy_above_hull":0.5788028470000002,"spacegroup":139},{"id":"jvasp-62771","created_at":"2022-09-04T14:36:14.018534Z","updated_at":"2022-09-04T14:36:14.018542Z","structure_string":"Mg1 B2 H8\n1.0\n2.143693 -3.712985 0.000000\n2.143693 3.712985 -0.000000\n0.000000 -0.000000 5.345051\nMg B H\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.202050 B\n0.666666 0.333332 0.797950 B\n0.180067 0.819931 0.288331 H\n0.180067 0.360135 0.288331 H\n0.639864 0.819931 0.288331 H\n0.819931 0.180067 0.711669 H\n0.360135 0.180067 0.711669 H\n0.819931 0.639864 0.711669 H\n0.333332 0.666666 0.974563 H\n0.666666 0.333332 0.025437 H\n","nsites":11,"nelements":3,"elements":["Mg","B","H"],"chemical_system":"B-H-Mg","density":1.05365631443854,"density_atomic":0.129278127057212,"volume":85.08786637303271,"volume_molar":4.658282802422487,"formula_full":"Mg1 B2 H8","formula_reduced":"Mg(BH4)2","formula_anonymous":"AB2C8","energy_above_hull":3.134814928787879,"spacegroup":164},{"id":"jvasp-116141","created_at":"2022-09-04T14:38:41.402198Z","updated_at":"2022-09-04T14:38:41.402232Z","structure_string":"Li1 H1 S1\n1.0\n4.158449 -0.440954 0.000000\n-2.512573 3.762297 0.000000\n0.000000 0.000000 4.330880\nLi H S\n1 1 1\ndirect\n0.018930 0.334513 0.000000 Li\n0.197819 -0.018710 0.000000 H\n0.783253 0.684199 0.000000 S\n","nsites":3,"nelements":3,"elements":["Li","H","S"],"chemical_system":"H-Li-S","density":1.0553530987525377,"density_atomic":0.04764953099634489,"volume":62.95969629229141,"volume_molar":12.638405109300965,"formula_full":"Li1 H1 S1","formula_reduced":"LiHS","formula_anonymous":"ABC","energy_above_hull":1.3273900000000003,"spacegroup":6},{"id":"jvasp-29285","created_at":"2022-09-04T14:38:00.260619Z","updated_at":"2022-09-04T14:38:00.260637Z","structure_string":"Mg2 C4 N4\n1.0\n6.184686 0.000000 0.000000\n-0.000000 6.215593 0.000000\n-0.000000 0.000000 6.215593\nMg C N\n2 4 4\ndirect\n0.245939 0.250000 0.250000 Mg\n0.745940 0.750000 0.750000 Mg\n0.446946 0.047651 0.047651 C\n0.446946 0.452349 0.452349 C\n0.946946 0.547651 0.952349 C\n0.946946 0.952349 0.547651 C\n0.055085 0.060880 0.439120 N\n0.055085 0.439120 0.060880 N\n0.555085 0.560879 0.560879 N\n0.555085 0.939120 0.939120 N\n","nsites":10,"nelements":3,"elements":["Mg","C","N"],"chemical_system":"C-Mg-N","density":1.0610780191744946,"density_atomic":0.04185209544051084,"volume":238.93666242384782,"volume_molar":14.389102138410143,"formula_full":"Mg2 C4 N4","formula_reduced":"Mg(CN)2","formula_anonymous":"AB2C2","energy_above_hull":4.5482751100000005,"spacegroup":102},{"id":"jvasp-79730","created_at":"2022-09-04T14:37:17.200433Z","updated_at":"2022-09-04T14:37:17.200443Z","structure_string":"Sc1 Cu2 Hg1\n1.0\n-9.034909 0.000147 -5.216428\n-8.378436 0.078034 4.079375\n-5.841297 7.254564 -0.315421\nSc Cu Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.753929 0.999999 0.000001 Cu\n0.246072 0.000001 0.999999 Cu\n0.500000 -0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Cu","Hg"],"chemical_system":"Cu-Hg-Sc","density":1.0626751173481712,"density_atomic":0.006869487977414131,"volume":582.2850281056483,"volume_molar":87.66506004231927,"formula_full":"Sc1 Cu2 Hg1","formula_reduced":"ScCu2Hg","formula_anonymous":"ABC2","energy_above_hull":0.4470151874999999,"spacegroup":71},{"id":"jvasp-76719","created_at":"2022-09-04T14:37:01.842844Z","updated_at":"2022-09-04T14:37:01.842870Z","structure_string":"Mn2 Co1 Ir1\n1.0\n-7.871068 0.000055 -4.544272\n-7.993470 0.007962 4.756276\n-5.291960 7.648988 0.077122\nMn Co Ir\n2 1 1\ndirect\n0.753711 -0.000000 0.000000 Mn\n0.246289 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Mn","Co","Ir"],"chemical_system":"Co-Ir-Mn","density":1.062934557592028,"density_atomic":0.00709216120006289,"volume":564.0029727418674,"volume_molar":84.91263227274922,"formula_full":"Mn2 Co1 Ir1","formula_reduced":"Mn2CoIr","formula_anonymous":"ABC2","energy_above_hull":4.937219120689655,"spacegroup":71},{"id":"jvasp-62415","created_at":"2022-09-04T14:35:52.340379Z","updated_at":"2022-09-04T14:35:52.340405Z","structure_string":"Ca2 B4 H16\n1.0\n-2.924649 2.924649 6.364967\n2.924649 -2.924649 6.364967\n2.924649 2.924649 -6.364967\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.228192 0.228192 0.000000 B\n0.771808 0.771808 0.000000 B\n0.521808 0.021808 0.500000 B\n0.978192 0.478192 0.500000 B\n0.591882 0.077272 0.738325 H\n0.338947 0.853558 0.261675 H\n0.827272 0.841882 0.238325 H\n0.603558 0.588947 0.761675 H\n0.411053 0.172728 0.014610 H\n0.158118 0.396442 0.985390 H\n0.785411 0.320558 0.258360 H\n0.472951 0.214590 0.535149 H\n0.679442 0.937803 0.464852 H\n0.922729 0.661053 0.514610 H\n0.687802 0.929442 0.964852 H\n0.964590 0.722951 0.035149 H\n0.277049 0.312198 0.241640 H\n0.070558 0.035410 0.758360 H\n0.062198 0.527049 0.741640 H\n0.146442 0.408118 0.485390 H\n","nsites":22,"nelements":3,"elements":["Ca","B","H"],"chemical_system":"B-Ca-H","density":1.0639073932284169,"density_atomic":0.1010227134156125,"volume":217.77280827422342,"volume_molar":5.961175023308483,"formula_full":"Ca2 B4 H16","formula_reduced":"Ca(BH4)2","formula_anonymous":"AB2C8","energy_above_hull":3.167617780606061,"spacegroup":122},{"id":"jvasp-63056","created_at":"2022-09-04T14:35:41.121243Z","updated_at":"2022-09-04T14:35:41.121258Z","structure_string":"Ca2 B4 H16\n1.0\n-2.924488 2.924488 6.361350\n2.924488 -2.924488 6.361350\n2.924488 2.924488 -6.361350\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.228325 0.228325 0.000000 B\n0.771675 0.771675 0.000000 B\n0.021675 0.521675 0.500000 B\n0.478325 0.978325 0.500000 B\n0.077172 0.338842 0.485513 H\n0.853329 0.591659 0.514487 H\n0.841659 0.603329 0.014487 H\n0.588842 0.827173 0.985514 H\n0.172828 0.158341 0.761670 H\n0.396671 0.411158 0.238330 H\n0.320571 0.062227 0.535007 H\n0.214434 0.679429 0.741656 H\n0.937774 0.472779 0.258345 H\n0.661158 0.146671 0.738331 H\n0.929429 0.964434 0.241655 H\n0.722779 0.687774 0.758345 H\n0.312227 0.070571 0.035006 H\n0.035566 0.277221 0.964994 H\n0.527221 0.785566 0.464994 H\n0.408341 0.922828 0.261670 H\n","nsites":22,"nelements":3,"elements":["Ca","B","H"],"chemical_system":"B-Ca-H","density":1.0646295314155823,"density_atomic":0.10109128363102111,"volume":217.625092983279,"volume_molar":5.95713155842452,"formula_full":"Ca2 B4 H16","formula_reduced":"Ca(BH4)2","formula_anonymous":"AB2C8","energy_above_hull":3.1676159624242426,"spacegroup":122},{"id":"jvasp-81775","created_at":"2022-09-04T14:37:09.971193Z","updated_at":"2022-09-04T14:37:09.971208Z","structure_string":"Hf2 Cu1 Mo1\n1.0\n-8.677511 0.001460 -5.007579\n-8.949974 -0.036282 5.479241\n-5.859488 8.704933 0.126361\nHf Cu Mo\n2 1 1\ndirect\n0.729971 0.000009 0.000009 Hf\n0.270029 0.999990 0.999990 Hf\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Mo\n","nsites":4,"nelements":3,"elements":["Hf","Cu","Mo"],"chemical_system":"Cu-Hf-Mo","density":1.065249968804135,"density_atomic":0.004968447300647885,"volume":805.0804925471184,"volume_molar":121.20770123122195,"formula_full":"Hf2 Cu1 Mo1","formula_reduced":"Hf2CuMo","formula_anonymous":"ABC2","energy_above_hull":5.0304205875,"spacegroup":71},{"id":"jvasp-61729","created_at":"2022-09-04T14:35:53.417002Z","updated_at":"2022-09-04T14:35:53.417021Z","structure_string":"Al4 H12\n1.0\n0.000000 4.535996 4.535996\n4.535996 0.000000 4.535996\n4.535996 4.535996 -0.000000\nAl H\n4 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.569409 0.569409 0.180592 H\n0.180592 0.180592 0.569409 H\n0.569409 0.180592 0.569409 H\n0.180592 0.569409 0.180592 H\n0.180592 0.569409 0.569409 H\n0.569409 0.180592 0.180592 H\n0.819409 0.430592 0.819409 H\n0.430592 0.819409 0.430592 H\n0.819409 0.819409 0.430592 H\n0.430592 0.430592 0.819409 H\n0.819409 0.430592 0.430592 H\n0.430592 0.819409 0.819409 H\n","nsites":16,"nelements":2,"elements":["Al","H"],"chemical_system":"Al-H","density":1.0677262645308057,"density_atomic":0.08571799385694497,"volume":186.65859150533143,"volume_molar":7.025526950677789,"formula_full":"Al4 H12","formula_reduced":"AlH3","formula_anonymous":"AB3","energy_above_hull":2.3284532,"spacegroup":227},{"id":"jvasp-101982","created_at":"2022-09-04T14:37:05.482751Z","updated_at":"2022-09-04T14:37:05.482772Z","structure_string":"H40 C20\n1.0\n8.553841 0.000000 -3.731294\n0.000000 5.200534 0.000000\n-0.028544 0.000000 9.817612\nH C\n40 20\ndirect\n0.480242 0.120644 0.176019 H\n0.919910 0.698751 0.308897 H\n0.080090 0.301249 0.691104 H\n0.031357 0.774126 0.067384 H\n0.968643 0.225874 0.932616 H\n0.968643 0.274126 0.432616 H\n0.031358 0.725873 0.567384 H\n0.199850 0.644290 0.210828 H\n0.800150 0.144290 0.289172 H\n0.199850 0.855709 0.710828 H\n0.185930 0.965683 0.949509 H\n0.814071 0.034317 0.050492 H\n0.814071 0.465683 0.550492 H\n0.185929 0.534316 0.449509 H\n0.332491 0.747971 0.058226 H\n0.667510 0.252029 0.941774 H\n0.667509 0.247971 0.441774 H\n0.332491 0.752028 0.558226 H\n0.919911 0.801248 0.808897 H\n0.080090 0.198751 0.191104 H\n0.800151 0.355709 0.789172 H\n0.870756 0.484077 0.155865 H\n0.129244 0.515922 0.844135 H\n0.519758 0.879355 0.823981 H\n0.519758 0.620644 0.323981 H\n0.480243 0.379355 0.676019 H\n0.311899 0.317293 0.097457 H\n0.688102 0.682707 0.902543 H\n0.311899 0.182707 0.597457 H\n0.353272 0.321957 0.358797 H\n0.646728 0.678042 0.641203 H\n0.688102 0.817292 0.402543 H\n0.870757 0.015922 0.655865 H\n0.353272 0.178043 0.858797 H\n0.409234 0.992998 0.381332 H\n0.590766 0.007001 0.618668 H\n0.590766 0.492999 0.118668 H\n0.409235 0.507001 0.881332 H\n0.129244 0.984077 0.344135 H\n0.646728 0.821956 0.141203 H\n0.160618 0.457743 0.751826 C\n0.151844 0.819921 0.145179 C\n0.848156 0.180078 0.854822 C\n0.742867 0.093742 0.935193 C\n0.151844 0.680077 0.645178 C\n0.257133 0.906257 0.064808 C\n0.839382 0.542257 0.248175 C\n0.848156 0.319922 0.354822 C\n0.839382 0.957742 0.748175 C\n0.355961 0.134965 0.157119 C\n0.330456 0.366007 0.802416 C\n0.669544 0.633993 0.197584 C\n0.669544 0.866006 0.697584 C\n0.330456 0.133993 0.302416 C\n0.355961 0.365035 0.657119 C\n0.644039 0.634964 0.342882 C\n0.644039 0.865035 0.842882 C\n0.742867 0.406258 0.435193 C\n0.160618 0.042257 0.251826 C\n0.257133 0.593742 0.564807 C\n","nsites":60,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.067989677257328,"density_atomic":0.13755849613148502,"volume":436.1780746908509,"volume_molar":4.377876270356829,"formula_full":"H40 C20","formula_reduced":"H2C","formula_anonymous":"AB2","energy_above_hull":3.26792,"spacegroup":14},{"id":"jvasp-51438","created_at":"2022-09-04T14:37:18.475931Z","updated_at":"2022-09-04T14:37:18.475958Z","structure_string":"K2 N6\n1.0\n6.311878 -0.916426 -3.409923\n-3.870248 6.100744 -0.330636\n-0.581372 0.916427 7.150482\nK N\n2 6\ndirect\n-0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.942055 0.557943 N\n0.500000 0.057944 0.442056 N\n0.384112 0.442056 0.942056 N\n-0.000000 0.750000 0.749999 N\n-0.000000 0.250000 0.250000 N\n0.615888 0.557943 0.057944 N\n","nsites":8,"nelements":2,"elements":["K","N"],"chemical_system":"K-N","density":1.0702399790069288,"density_atomic":0.03178137538603557,"volume":251.71975419022053,"volume_molar":18.948647397576345,"formula_full":"K2 N6","formula_reduced":"KN3","formula_anonymous":"AB3","energy_above_hull":3.840654437500001,"spacegroup":140}]}