{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4334","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4332","results":[{"id":"jvasp-113516","created_at":"2022-09-04T14:38:46.233935Z","updated_at":"2022-09-04T14:38:46.233957Z","structure_string":"Be1 In1 Se1\n1.0\n3.418065 -0.644405 0.000000\n-2.264661 6.608508 0.000000\n0.000000 0.000000 3.757908\nBe In Se\n1 1 1\ndirect\n0.279217 -0.054392 0.000000 Be\n0.126742 0.295583 0.000000 In\n0.594043 0.758809 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Be","In","Se"],"chemical_system":"Be-In-Se","density":4.241035837737055,"density_atomic":0.03778306406157747,"volume":79.40065408963943,"volume_molar":15.938730512129277,"formula_full":"Be1 In1 Se1","formula_reduced":"BeInSe","formula_anonymous":"ABC","energy_above_hull":0.7928964788888886,"spacegroup":25},{"id":"jvasp-102770","created_at":"2022-09-04T14:38:46.244355Z","updated_at":"2022-09-04T14:38:46.244385Z","structure_string":"Dy2 Fe2 Cu2\n1.0\n4.412292 0.040000 -2.653770\n-1.371428 4.121291 -2.765243\n0.033926 -0.040000 5.148754\nDy Fe Cu\n2 2 2\ndirect\n0.369511 0.119511 0.250000 Dy\n0.630488 0.880488 0.750000 Dy\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.499999 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Dy","Fe","Cu"],"chemical_system":"Cu-Dy-Fe","density":9.997372343929191,"density_atomic":0.06407325899664602,"volume":93.64280971433146,"volume_molar":9.398836354359991,"formula_full":"Dy2 Fe2 Cu2","formula_reduced":"DyFeCu","formula_anonymous":"ABC","energy_above_hull":1.272950816666667,"spacegroup":74},{"id":"jvasp-117113","created_at":"2022-09-04T14:38:46.245472Z","updated_at":"2022-09-04T14:38:46.245497Z","structure_string":"Sc4 Cd2 Se8\n1.0\n6.929947 -0.000000 4.001007\n2.309982 6.533616 4.001007\n-0.000000 -0.000000 8.002013\nSc Cd Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.844383 0.385206 0.385206 Se\n0.385206 0.844383 0.385206 Se\n0.385206 0.385206 0.844382 Se\n0.385206 0.385206 0.385206 Se\n0.405617 0.864794 0.864794 Se\n0.864794 0.405618 0.864794 Se\n0.864794 0.864794 0.405618 Se\n0.864794 0.864794 0.864794 Se\n","nsites":14,"nelements":3,"elements":["Sc","Cd","Se"],"chemical_system":"Cd-Sc-Se","density":4.749660547508965,"density_atomic":0.03864072477812804,"volume":362.3120446209765,"volume_molar":15.584958083935152,"formula_full":"Sc4 Cd2 Se8","formula_reduced":"Sc2CdSe4","formula_anonymous":"AB2C4","energy_above_hull":1.2381248166666663,"spacegroup":227},{"id":"jvasp-112203","created_at":"2022-09-04T14:38:46.248353Z","updated_at":"2022-09-04T14:38:46.248374Z","structure_string":"Sn2 H8 C4 F4\n1.0\n4.887620 0.058396 -0.364266\n-2.156957 5.543989 -1.900549\n0.177452 0.031094 6.216351\nSn H C F\n2 8 4 4\ndirect\n0.322813 0.526485 0.563939 Sn\n0.184552 0.995326 0.052736 Sn\n0.527788 0.700501 0.240342 H\n0.979558 0.821249 0.376293 H\n-0.020499 0.578560 0.135081 H\n0.527880 0.943213 0.481537 H\n0.532008 0.241388 0.703256 H\n-0.018890 0.042235 0.670942 H\n0.975344 0.280383 0.913350 H\n0.526297 0.479528 0.945695 H\n0.111326 0.756979 0.252207 C\n0.396039 0.764794 0.364432 C\n0.395377 0.339569 0.789186 C\n0.112007 0.182207 0.827455 C\n0.530178 0.891015 0.907281 F\n0.514136 0.299969 0.276326 F\n0.977163 0.630773 0.709367 F\n0.993253 0.221814 0.340322 F\n","nsites":18,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":3.611999378155815,"density_atomic":0.10595786630876668,"volume":169.87884549833302,"volume_molar":5.6835239985402985,"formula_full":"Sn2 H8 C4 F4","formula_reduced":"SnH4(CF)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.870504696111111,"spacegroup":2},{"id":"jvasp-113776","created_at":"2022-09-04T14:38:46.249395Z","updated_at":"2022-09-04T14:38:46.249422Z","structure_string":"Ta2 H1\n1.0\n2.911287 -0.002280 0.287954\n1.085298 2.701430 0.287954\n-0.009852 -0.006654 4.899440\nTa H\n2 1\ndirect\n0.234236 0.234236 0.735798 Ta\n0.765766 0.765765 0.264200 Ta\n0.500001 0.500000 -0.000001 H\n","nsites":3,"nelements":2,"elements":["Ta","H"],"chemical_system":"H-Ta","density":15.62977990583977,"density_atomic":0.07780967899195913,"volume":38.555614659585224,"volume_molar":7.739577952278057,"formula_full":"Ta2 H1","formula_reduced":"Ta2H","formula_anonymous":"AB2","energy_above_hull":4.711976133333334,"spacegroup":12},{"id":"jvasp-112984","created_at":"2022-09-04T14:38:46.254055Z","updated_at":"2022-09-04T14:38:46.254091Z","structure_string":"Zr6 Al16 Pd7\n1.0\n7.608993 -0.000000 4.393054\n2.536331 7.173827 4.393054\n-0.000000 -0.000000 8.786108\nZr Al Pd\n6 16 7\ndirect\n0.685952 0.685953 0.314047 Zr\n0.314047 0.685953 0.314047 Zr\n0.685952 0.314048 0.314047 Zr\n0.314047 0.314048 0.685952 Zr\n0.685952 0.314048 0.685952 Zr\n0.314047 0.685953 0.685952 Zr\n0.334546 0.334546 0.334546 Al\n0.996361 0.334546 0.334546 Al\n0.334546 0.996362 0.334546 Al\n0.334546 0.334546 0.996361 Al\n0.665453 0.665454 0.665453 Al\n0.003639 0.665454 0.665454 Al\n0.665453 0.003639 0.665454 Al\n0.665453 0.665454 0.003638 Al\n0.639103 0.120299 0.120298 Al\n0.120298 0.639103 0.120298 Al\n0.120299 0.120299 0.639103 Al\n0.879701 0.879702 0.879701 Al\n0.360897 0.879702 0.879701 Al\n0.879701 0.360897 0.879701 Al\n0.879701 0.879702 0.360896 Al\n0.120299 0.120299 0.120299 Al\n-0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n","nsites":29,"nelements":3,"elements":["Zr","Al","Pd"],"chemical_system":"Al-Pd-Zr","density":5.96910021623806,"density_atomic":0.06046768983200738,"volume":479.5949718034279,"volume_molar":9.959270441339566,"formula_full":"Zr6 Al16 Pd7","formula_reduced":"Zr6Al16Pd7","formula_anonymous":"A6B7C16","energy_above_hull":2.8347162655172418,"spacegroup":225},{"id":"jvasp-113632","created_at":"2022-09-04T14:38:46.254317Z","updated_at":"2022-09-04T14:38:46.254333Z","structure_string":"Ge1 H2\n1.0\n2.554716 0.057196 -0.544242\n0.094625 -3.487931 0.077999\n0.158080 -1.830615 -3.973005\nGe H\n1 2\ndirect\n0.102806 0.895660 0.049420 Ge\n0.950555 0.694624 0.451534 H\n0.139230 0.436727 -0.032733 H\n","nsites":3,"nelements":2,"elements":["Ge","H"],"chemical_system":"Ge-H","density":3.483906842783858,"density_atomic":0.0843091424649553,"volume":35.58332954515588,"volume_molar":7.142927307679849,"formula_full":"Ge1 H2","formula_reduced":"GeH2","formula_anonymous":"AB2","energy_above_hull":1.88463865,"spacegroup":8},{"id":"jvasp-117587","created_at":"2022-09-04T14:38:46.254463Z","updated_at":"2022-09-04T14:38:46.254498Z","structure_string":"Ba1 N1 F1\n1.0\n4.634051 0.093875 0.000000\n-2.398911 3.965731 0.000000\n0.000000 0.000000 4.835694\nBa N F\n1 1 1\ndirect\n0.333358 0.000008 0.000000 Ba\n0.666713 0.666715 0.000000 N\n-0.000071 0.333278 0.000000 F\n","nsites":3,"nelements":3,"elements":["Ba","N","F"],"chemical_system":"Ba-F-N","density":3.1442220309511413,"density_atomic":0.033349463727442005,"volume":89.95646900107164,"volume_molar":18.057683953234335,"formula_full":"Ba1 N1 F1","formula_reduced":"BaNF","formula_anonymous":"ABC","energy_above_hull":1.1238431674999996,"spacegroup":187},{"id":"jvasp-113199","created_at":"2022-09-04T14:38:46.259898Z","updated_at":"2022-09-04T14:38:46.259931Z","structure_string":"Ni6 O2 F10\n1.0\n5.251125 0.086934 1.717748\n1.360798 5.072485 1.717748\n-0.014051 -0.010964 7.312484\nNi O F\n6 2 10\ndirect\n0.650394 0.650394 0.849428 Ni\n0.668161 0.668160 0.333781 Ni\n0.331841 0.331841 0.666218 Ni\n0.349607 0.349607 0.150571 Ni\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.702863 0.297138 0.000000 O\n0.297139 0.702862 -0.000000 O\n0.099407 0.099408 0.701330 F\n0.437048 0.437048 0.369072 F\n0.768249 0.768248 0.037333 F\n0.900594 0.900593 0.298669 F\n0.980248 0.366009 0.329800 F\n0.231752 0.231753 0.962667 F\n0.633991 0.019753 0.670199 F\n0.366010 0.980248 0.329800 F\n0.562953 0.562953 0.630927 F\n0.019753 0.633992 0.670199 F\n","nsites":18,"nelements":3,"elements":["Ni","O","F"],"chemical_system":"F-Ni-O","density":4.911691037672509,"density_atomic":0.09273297617777902,"volume":194.10570804383627,"volume_molar":6.494066089774702,"formula_full":"Ni6 O2 F10","formula_reduced":"Ni3OF5","formula_anonymous":"AB3C5","energy_above_hull":0.4524713458333335,"spacegroup":12},{"id":"jvasp-112987","created_at":"2022-09-04T14:38:46.262482Z","updated_at":"2022-09-04T14:38:46.262508Z","structure_string":"Mg8 Si4 S16\n1.0\n5.943260 -0.000000 0.000000\n0.000000 7.427712 0.000000\n-0.000000 -0.000000 12.710147\nMg Si S\n8 4 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.491886 0.750000 0.230501 Mg\n0.008114 0.750000 0.730501 Mg\n0.508114 0.250000 0.769499 Mg\n0.991886 0.250000 0.269499 Mg\n0.407250 0.250000 0.089617 Si\n0.092750 0.250000 0.589617 Si\n0.592750 0.750000 0.910383 Si\n0.907250 0.750000 0.410383 Si\n0.251930 0.022862 0.166753 S\n0.248070 0.477138 0.666753 S\n0.251930 0.477138 0.166753 S\n0.248070 0.022862 0.666753 S\n0.748070 0.977137 0.833248 S\n0.751930 0.522862 0.333248 S\n0.260145 0.250000 0.934062 S\n0.236487 0.750000 0.907589 S\n0.739855 0.750000 0.065939 S\n0.760145 0.750000 0.565939 S\n0.763513 0.250000 0.092411 S\n0.736487 0.250000 0.592412 S\n0.751930 0.977137 0.333248 S\n0.263513 0.750000 0.407589 S\n0.239855 0.250000 0.434062 S\n0.748070 0.522862 0.833248 S\n","nsites":28,"nelements":3,"elements":["Mg","Si","S"],"chemical_system":"Mg-S-Si","density":2.426265408818871,"density_atomic":0.049903116884654874,"volume":561.0871975135075,"volume_molar":12.067664578786658,"formula_full":"Mg8 Si4 S16","formula_reduced":"Mg2SiS4","formula_anonymous":"AB2C4","energy_above_hull":1.2857152428571426,"spacegroup":62},{"id":"jvasp-115413","created_at":"2022-09-04T14:38:46.262919Z","updated_at":"2022-09-04T14:38:46.262932Z","structure_string":"Li1 Mg1 As1\n1.0\n4.703080 -0.551016 0.000000\n-1.637710 4.444905 0.000000\n0.000000 0.000000 3.091127\nLi Mg As\n1 1 1\ndirect\n0.107845 0.420439 0.000000 Li\n-0.226279 -0.245216 0.000000 Mg\n0.435589 0.093034 0.000000 As\n","nsites":3,"nelements":3,"elements":["Li","Mg","As"],"chemical_system":"As-Li-Mg","density":2.851303563279533,"density_atomic":0.04852031527554404,"volume":61.8297713640807,"volume_molar":12.41158621043704,"formula_full":"Li1 Mg1 As1","formula_reduced":"LiMgAs","formula_anonymous":"ABC","energy_above_hull":0.5512636000000002,"spacegroup":38},{"id":"jvasp-117060","created_at":"2022-09-04T14:38:46.263392Z","updated_at":"2022-09-04T14:38:46.263426Z","structure_string":"Li2 V6 O8\n1.0\n4.921006 -0.023402 1.411100\n0.833874 5.024137 -2.823743\n-0.023384 -0.062203 5.886929\nLi V O\n2 6 8\ndirect\n0.000012 0.000039 0.500027 Li\n0.000015 0.499914 0.500016 Li\n0.500014 0.749978 0.000023 V\n0.500013 0.249976 0.000020 V\n0.500013 0.749976 0.500023 V\n0.000025 0.499990 0.000045 V\n0.000000 0.999960 1.000001 V\n0.500014 0.249974 0.500023 V\n0.747429 0.376274 0.752626 O\n0.747416 0.876266 0.752611 O\n0.252612 0.623689 0.247432 O\n0.252601 0.123682 0.247417 O\n0.244107 0.122038 0.744142 O\n0.244112 0.622027 0.744137 O\n0.755916 0.877925 0.255909 O\n0.755917 0.377913 0.255902 O\n","nsites":16,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":5.128997879561714,"density_atomic":0.11042945757950708,"volume":144.8888761269185,"volume_molar":5.453382541215667,"formula_full":"Li2 V6 O8","formula_reduced":"LiV3O4","formula_anonymous":"AB3C4","energy_above_hull":3.132728325,"spacegroup":65}]}