{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=69","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=67","results":[{"id":"jvasp-35938","created_at":"2022-09-04T14:37:42.252542Z","updated_at":"2022-09-04T14:37:42.252552Z","structure_string":"Li2 Be2 B2\n1.0\n0.000000 3.705912 0.010468\n2.996108 0.000000 0.000000\n0.000000 -0.869706 -5.585965\nLi Be B\n2 2 2\ndirect\n0.227213 0.750000 0.341349 Li\n0.772785 0.250000 0.658650 Li\n0.350649 0.750000 0.885279 Be\n0.649350 0.250000 0.114720 Be\n0.882187 0.750000 0.972821 B\n0.117811 0.250000 0.027178 B\n","nsites":6,"nelements":3,"elements":["Li","Be","B"],"chemical_system":"B-Be-Li","density":1.433749667014805,"density_atomic":0.09678131368651688,"volume":61.99543870043471,"volume_molar":6.222420972199488,"formula_full":"Li2 Be2 B2","formula_reduced":"LiBeB","formula_anonymous":"ABC","energy_above_hull":2.0191362277777776,"spacegroup":11},{"id":"jvasp-2005","created_at":"2022-09-04T14:35:57.681685Z","updated_at":"2022-09-04T14:35:57.681707Z","structure_string":"Na1 H1\n1.0\n2.944416 0.000000 1.699960\n0.981472 2.776021 1.699960\n-0.000000 -0.000000 3.399918\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n","nsites":2,"nelements":2,"elements":["Na","H"],"chemical_system":"H-Na","density":1.4339318997278159,"density_atomic":0.07196803363724474,"volume":27.790115957329203,"volume_molar":8.36779950158793,"formula_full":"Na1 H1","formula_reduced":"NaH","formula_anonymous":"AB","energy_above_hull":0.4706945000000001,"spacegroup":225},{"id":"jvasp-36118","created_at":"2022-09-04T14:37:35.556619Z","updated_at":"2022-09-04T14:37:35.556636Z","structure_string":"K1 Na1 H2\n1.0\n3.745483 0.000000 -0.000000\n0.000000 3.745483 0.000000\n0.000000 0.000000 5.291582\nK Na H\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n","nsites":4,"nelements":3,"elements":["K","Na","H"],"chemical_system":"H-K-Na","density":1.4339456559254076,"density_atomic":0.05388387256728186,"volume":74.23371427147181,"volume_molar":11.176146912010601,"formula_full":"K1 Na1 H2","formula_reduced":"KNaH2","formula_anonymous":"ABC2","energy_above_hull":0.8120417499999999,"spacegroup":123},{"id":"jvasp-103809","created_at":"2022-09-04T14:36:48.746982Z","updated_at":"2022-09-04T14:36:48.747009Z","structure_string":"H12 C4 N4\n1.0\n4.207819 -0.004418 -1.172037\n-2.241567 5.307405 -1.748723\n-0.082799 0.060066 6.021143\nH C N\n12 4 4\ndirect\n0.169002 0.979640 0.881038 H\n0.760379 0.439479 0.590298 H\n0.757941 0.940596 0.091523 H\n0.758786 0.690301 0.341007 H\n0.298071 0.531868 0.932831 H\n0.297425 0.031391 0.432015 H\n0.759561 0.189762 0.840800 H\n0.297915 0.781953 0.682431 H\n0.168489 0.730013 0.130427 H\n0.170593 0.230165 0.631256 H\n0.170085 0.480546 0.380636 H\n0.297581 0.281296 0.182422 H\n0.067010 0.809355 0.710235 C\n0.067225 0.309624 0.210337 C\n0.067327 0.059649 0.460488 C\n0.066907 0.559331 0.960084 C\n0.854902 0.100370 0.251206 N\n0.854913 0.849935 0.500712 N\n0.854923 0.349461 0.000329 N\n0.854935 0.599041 0.749848 N\n","nsites":20,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.43425606082117,"density_atomic":0.14870745593905954,"volume":134.49224770677282,"volume_molar":4.049656234094866,"formula_full":"H12 C4 N4","formula_reduced":"H3CN","formula_anonymous":"ABC3","energy_above_hull":4.01482065,"spacegroup":6},{"id":"jvasp-85704","created_at":"2022-09-04T14:36:18.860358Z","updated_at":"2022-09-04T14:36:18.860384Z","structure_string":"Li2 H2 S2\n1.0\n6.074475 0.000000 0.000000\n0.000000 2.781953 2.740624\n0.000000 -2.781953 2.740624\nLi H S\n2 2 2\ndirect\n0.000000 0.502892 0.502892 Li\n0.500000 0.502892 0.502892 Li\n0.749999 0.990586 0.125702 H\n0.250000 0.125702 0.990586 H\n0.250000 0.471743 0.000183 S\n0.749999 0.000183 0.471743 S\n","nsites":6,"nelements":3,"elements":["Li","H","S"],"chemical_system":"H-Li-S","density":1.4346713312106967,"density_atomic":0.06477587088804396,"volume":92.62708347634819,"volume_molar":9.296888914713984,"formula_full":"Li2 H2 S2","formula_reduced":"LiHS","formula_anonymous":"ABC","energy_above_hull":1.2479166666666668,"spacegroup":40},{"id":"jvasp-34206","created_at":"2022-09-04T14:37:13.739683Z","updated_at":"2022-09-04T14:37:13.739712Z","structure_string":"Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n","nsites":9,"nelements":4,"elements":["Na","S","O","F"],"chemical_system":"F-Na-O-S","density":1.4346984872170245,"density_atomic":0.042253694910938035,"volume":212.99912395756445,"volume_molar":14.252341180323794,"formula_full":"Na3 S1 O4 F1","formula_reduced":"Na3SO4F","formula_anonymous":"ABC3D4","energy_above_hull":1.005646809166667,"spacegroup":160},{"id":"jvasp-59266","created_at":"2022-09-04T14:38:13.760296Z","updated_at":"2022-09-04T14:38:13.760321Z","structure_string":"Li8 H8 S8\n1.0\n3.904391 -0.000000 0.000000\n0.000000 7.804094 0.000000\n0.000000 0.000000 12.158318\nLi H S\n8 8 8\ndirect\n0.500088 0.501286 0.375014 Li\n0.499911 0.498714 0.624986 Li\n0.500088 0.498714 0.875014 Li\n0.499911 0.001286 0.375014 Li\n0.499911 0.998713 0.875014 Li\n0.499911 0.501286 0.124986 Li\n0.500088 0.998713 0.624986 Li\n0.500088 0.001286 0.124986 Li\n0.000000 0.187003 0.750000 H\n0.000000 0.812997 0.250000 H\n0.000000 0.687002 0.750000 H\n0.000000 0.312997 0.250000 H\n0.881786 0.750000 0.000000 H\n0.881786 0.250000 0.500000 H\n0.118213 0.250000 0.000000 H\n0.118213 0.750000 0.500000 H\n0.464249 0.750000 0.500000 S\n0.535751 0.750000 0.000000 S\n0.535751 0.250000 0.500000 S\n0.464249 0.250000 0.000000 S\n0.000000 0.486146 0.250000 S\n0.000000 0.513853 0.750000 S\n0.000000 0.986146 0.250000 S\n0.000000 0.013854 0.750000 S\n","nsites":24,"nelements":3,"elements":["Li","H","S"],"chemical_system":"H-Li-S","density":1.4348321791279421,"density_atomic":0.06478313322311223,"volume":370.46679908710695,"volume_molar":9.295846712538323,"formula_full":"Li8 H8 S8","formula_reduced":"LiHS","formula_anonymous":"ABC","energy_above_hull":1.24781,"spacegroup":54},{"id":"jvasp-59115","created_at":"2022-09-04T14:38:08.595345Z","updated_at":"2022-09-04T14:38:08.595368Z","structure_string":"Li8 H8 S8\n1.0\n7.803498 -0.000000 0.000000\n0.000000 7.803498 0.000000\n0.000000 -0.000000 6.082330\nLi H S\n8 8 8\ndirect\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.750000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.500000 0.250000 Li\n0.191123 0.251401 0.500000 H\n0.808877 0.748599 0.500000 H\n0.748599 0.191123 0.000000 H\n0.251401 0.808877 0.000000 H\n0.751401 0.691123 0.000000 H\n0.691123 0.248599 0.500000 H\n0.308877 0.751401 0.500000 H\n0.248599 0.308877 0.000000 H\n0.517999 0.250265 0.500000 S\n0.250265 0.482001 0.000000 S\n0.749735 0.517999 0.000000 S\n0.482001 0.749735 0.500000 S\n0.982001 0.750265 0.500000 S\n0.017999 0.249735 0.500000 S\n0.750265 0.017999 0.000000 S\n0.249735 0.982001 0.000000 S\n","nsites":24,"nelements":3,"elements":["Li","H","S"],"chemical_system":"H-Li-S","density":1.4351648031074142,"density_atomic":0.06479815130250074,"volume":370.3809370727182,"volume_molar":9.293692241135881,"formula_full":"Li8 H8 S8","formula_reduced":"LiHS","formula_anonymous":"ABC","energy_above_hull":1.2477766666666668,"spacegroup":135},{"id":"jvasp-85713","created_at":"2022-09-04T14:35:46.022022Z","updated_at":"2022-09-04T14:35:46.022047Z","structure_string":"Li4 H4 S4\n1.0\n6.077482 0.000000 0.000000\n0.000000 3.903616 0.000000\n0.000000 0.000000 7.803721\nLi H S\n4 4 4\ndirect\n0.250048 0.505375 0.246923 Li\n0.749952 0.505375 0.246923 Li\n0.749952 0.494626 0.746923 Li\n0.250048 0.494626 0.746923 Li\n0.000000 -0.002004 0.935650 H\n0.000000 0.002004 0.435650 H\n0.500000 0.882463 0.502325 H\n0.500000 0.117538 0.002325 H\n0.000000 -0.005963 0.762512 S\n0.000000 0.005963 0.262512 S\n0.500000 0.536456 0.498275 S\n0.500000 0.463545 0.998275 S\n","nsites":12,"nelements":3,"elements":["Li","H","S"],"chemical_system":"H-Li-S","density":1.4355816575371314,"density_atomic":0.06481697241374139,"volume":185.13669418869625,"volume_molar":9.290993602045024,"formula_full":"Li4 H4 S4","formula_reduced":"LiHS","formula_anonymous":"ABC","energy_above_hull":1.24784,"spacegroup":26},{"id":"jvasp-31934","created_at":"2022-09-04T14:37:31.588239Z","updated_at":"2022-09-04T14:37:31.588264Z","structure_string":"H4 N2 O3\n1.0\n3.057389 0.066976 -0.066976\n0.141898 5.513144 0.281672\n-0.141898 0.281672 5.513144\nH N O\n4 2 3\ndirect\n0.194506 0.380357 0.531706 H\n0.805494 0.531706 0.380356 H\n0.974050 0.206986 0.988299 H\n0.025950 0.988300 0.206985 H\n-0.000000 0.018031 0.018031 N\n0.500000 0.733057 0.733056 N\n-0.000000 0.386119 0.386119 O\n0.526596 0.649514 0.945220 O\n0.473404 0.945221 0.649513 O\n","nsites":9,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.4357425196934002,"density_atomic":0.09721754804556951,"volume":92.57587936471472,"volume_molar":6.194499739056572,"formula_full":"H4 N2 O3","formula_reduced":"H4N2O3","formula_anonymous":"A2B3C4","energy_above_hull":3.648601888888889,"spacegroup":5},{"id":"jvasp-3687","created_at":"2022-09-04T14:35:48.786388Z","updated_at":"2022-09-04T14:35:48.786420Z","structure_string":"Mg2 H4\n1.0\n4.499901 0.000000 0.000000\n0.000000 4.499901 0.000000\n0.000000 0.000000 3.003152\nMg H\n2 4\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.195982 0.195982 0.000000 H\n0.695982 0.304018 0.500000 H\n0.804018 0.804018 0.000000 H\n0.304018 0.695982 0.500000 H\n","nsites":6,"nelements":2,"elements":["Mg","H"],"chemical_system":"H-Mg","density":1.437461646786422,"density_atomic":0.0986661127254192,"volume":60.811152221001905,"volume_molar":6.103555307544336,"formula_full":"Mg2 H4","formula_reduced":"MgH2","formula_anonymous":"AB2","energy_above_hull":1.1709963500000002,"spacegroup":136},{"id":"jvasp-121084","created_at":"2022-09-04T14:38:52.477303Z","updated_at":"2022-09-04T14:38:52.477322Z","structure_string":"H2 C2\n1.0\n4.012894 1.332367 -0.154910\n-1.843049 -2.494721 0.283932\n1.221912 1.571277 -4.159020\nH C\n2 2\ndirect\n0.007140 -0.328068 0.735220 H\n0.505011 -0.022272 0.063962 H\n0.505667 0.053004 0.322885 C\n0.006537 0.596727 0.476302 C\n","nsites":4,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.4377684196687732,"density_atomic":0.13301610316469736,"volume":30.071547014479105,"volume_molar":4.527377224803773,"formula_full":"H2 C2","formula_reduced":"HC","formula_anonymous":"AB","energy_above_hull":2.90946,"spacegroup":2}]}