{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3380","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3378","results":[{"id":"jvasp-87992","created_at":"2022-09-04T14:36:15.062624Z","updated_at":"2022-09-04T14:36:15.062644Z","structure_string":"Te8 Mo2 Br2\n1.0\n6.710467 0.002891 -1.538013\n-2.309138 6.919442 -3.073602\n0.005085 0.053701 7.990969\nTe Mo Br\n8 2 2\ndirect\n0.879591 0.668248 0.827251 Te\n0.037598 0.888372 0.232578 Te\n0.962403 0.111627 0.767423 Te\n0.538008 0.238349 0.931986 Te\n0.611295 0.144826 0.311082 Te\n0.388706 0.855174 0.688918 Te\n0.120409 0.331751 0.172750 Te\n0.461993 0.761651 0.068015 Te\n0.781610 0.999804 0.001499 Mo\n0.218391 0.000195 0.998501 Mo\n0.743716 0.598435 0.415631 Br\n0.256284 0.401565 0.584370 Br\n","nsites":12,"nelements":3,"elements":["Te","Mo","Br"],"chemical_system":"Br-Mo-Te","density":6.119164472013755,"density_atomic":0.03221927168481705,"volume":372.4478975623418,"volume_molar":18.691113874054025,"formula_full":"Te8 Mo2 Br2","formula_reduced":"Te4MoBr","formula_anonymous":"ABC4","energy_above_hull":1.7278285119444452,"spacegroup":2},{"id":"jvasp-29192","created_at":"2022-09-04T14:36:37.124336Z","updated_at":"2022-09-04T14:36:37.124359Z","structure_string":"Te4 Mo3 W1 Se4\n1.0\n3.445828 -0.000000 0.000026\n-1.722914 2.984185 -0.000050\n0.000281 -0.000473 37.360768\nTe Mo W Se\n4 3 1 4\ndirect\n0.333332 0.666663 0.328164 Te\n0.666673 0.333359 0.422932 Te\n0.666665 0.333378 0.522938 Te\n0.333319 0.666604 0.228665 Te\n0.333367 0.666601 0.095014 Mo\n0.666659 0.333302 0.278410 Mo\n0.666643 0.333398 0.656550 Mo\n0.333334 0.666698 0.472943 W\n0.333311 0.666748 0.700256 Se\n0.666710 0.333275 0.051309 Se\n0.666688 0.333260 0.138805 Se\n0.333306 0.666709 0.612763 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.609900986560781,"density_atomic":0.031235330983040408,"volume":384.18033753237773,"volume_molar":19.279900582035747,"formula_full":"Te4 Mo3 W1 Se4","formula_reduced":"Te4Mo3WSe4","formula_anonymous":"AB3C4D4","energy_above_hull":3.539785186111111,"spacegroup":156},{"id":"jvasp-28707","created_at":"2022-09-04T14:36:20.372923Z","updated_at":"2022-09-04T14:36:20.372950Z","structure_string":"Mo3 W1 Se4 S4\n1.0\n3.257792 -0.000004 -0.000117\n-1.628899 2.821327 0.000115\n-0.001247 0.000641 34.726814\nMo W Se S\n3 1 4 4\ndirect\n0.333292 0.666644 0.095012 Mo\n0.666655 0.333303 0.279669 Mo\n0.666703 0.333355 0.656614 Mo\n0.333347 0.666698 0.471622 W\n0.333337 0.666608 0.328573 Se\n0.666660 0.333383 0.422410 Se\n0.666694 0.333339 0.520818 Se\n0.333307 0.666661 0.230777 Se\n0.333386 0.666669 0.701090 S\n0.666619 0.333351 0.050537 S\n0.666638 0.333285 0.139545 S\n0.333357 0.666714 0.612083 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.764193117408576,"density_atomic":0.037595843763570176,"volume":319.1842182200955,"volume_molar":16.018102420766432,"formula_full":"Mo3 W1 Se4 S4","formula_reduced":"Mo3W(SeS)4","formula_anonymous":"AB3C4D4","energy_above_hull":3.9061975972222234,"spacegroup":156},{"id":"jvasp-61884","created_at":"2022-09-04T14:36:19.781373Z","updated_at":"2022-09-04T14:36:19.781404Z","structure_string":"Te4 As4 Ru4\n1.0\n0.000000 6.453897 0.001731\n6.381122 0.000000 0.000000\n0.000000 -2.602037 -5.955527\nTe As Ru\n4 4 4\ndirect\n0.155518 0.374400 0.365711 Te\n0.844483 0.874400 0.134290 Te\n0.844482 0.625600 0.634290 Te\n0.155518 0.125600 0.865711 Te\n0.353951 0.644924 0.168229 As\n0.646049 0.144924 0.331771 As\n0.646049 0.355076 0.831771 As\n0.353951 0.855076 0.668230 As\n0.284794 0.991128 0.294160 Ru\n0.715207 0.491128 0.205841 Ru\n0.715206 0.008871 0.705841 Ru\n0.284794 0.508871 0.794160 Ru\n","nsites":12,"nelements":3,"elements":["Te","As","Ru"],"chemical_system":"As-Ru-Te","density":8.222624524957453,"density_atomic":0.04893198855604129,"volume":245.238347226713,"volume_molar":12.307165389575177,"formula_full":"Te4 As4 Ru4","formula_reduced":"TeAsRu","formula_anonymous":"ABC","energy_above_hull":2.162400005555556,"spacegroup":14},{"id":"jvasp-9317","created_at":"2022-09-04T14:36:37.124832Z","updated_at":"2022-09-04T14:36:37.124852Z","structure_string":"Y1 Fe1 W2 O8\n1.0\n-5.026343 -0.068166 0.024676\n2.173254 5.524417 0.022309\n-0.006048 -2.123948 -5.578701\nY Fe W O\n1 1 2 8\ndirect\n0.475125 0.099674 0.723128 Y\n0.975447 0.099342 0.223552 Fe\n0.720345 0.582653 0.397776 W\n0.229511 0.616649 0.048542 W\n0.689663 0.821760 0.667579 O\n0.745936 0.330843 0.497785 O\n0.629138 0.801579 0.197130 O\n0.823537 0.391678 0.052969 O\n0.204253 0.868521 0.948407 O\n0.260264 0.377424 0.778881 O\n0.320614 0.397838 0.249434 O\n0.126266 0.808130 0.393307 O\n","nsites":12,"nelements":4,"elements":["Y","Fe","W","O"],"chemical_system":"Fe-O-W-Y","density":6.917684258945537,"density_atomic":0.07805916393626312,"volume":153.72954813861753,"volume_molar":7.714841482182923,"formula_full":"Y1 Fe1 W2 O8","formula_reduced":"YFe(WO4)2","formula_anonymous":"ABC2D8","energy_above_hull":4.014179079166667,"spacegroup":2},{"id":"jvasp-86280","created_at":"2022-09-04T14:36:08.106091Z","updated_at":"2022-09-04T14:36:08.106125Z","structure_string":"Pr4 Al4 Pt4\n1.0\n4.506657 0.000000 0.000000\n0.000000 7.247378 0.000000\n0.000000 0.000000 7.894404\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527904 0.182055 Pr\n0.250000 0.027904 0.317944 Pr\n0.750001 0.972096 0.682055 Pr\n0.750001 0.472096 0.817944 Pr\n0.250000 0.147287 0.931373 Al\n0.750001 0.352713 0.431373 Al\n0.250000 0.647287 0.568627 Al\n0.750001 0.852713 0.068627 Al\n0.250000 0.786526 0.890998 Pt\n0.250000 0.286526 0.609002 Pt\n0.750001 0.713475 0.390998 Pt\n0.750001 0.213474 0.109002 Pt\n","nsites":12,"nelements":3,"elements":["Pr","Al","Pt"],"chemical_system":"Al-Pr-Pt","density":9.350371557887055,"density_atomic":0.04654001077865475,"volume":257.84265622696665,"volume_molar":12.939706414425697,"formula_full":"Pr4 Al4 Pt4","formula_reduced":"PrAlPt","formula_anonymous":"ABC","energy_above_hull":1.4149946833333338,"spacegroup":62},{"id":"jvasp-42815","created_at":"2022-09-04T14:36:21.373531Z","updated_at":"2022-09-04T14:36:21.373557Z","structure_string":"Na4 V2 O6\n1.0\n0.000000 6.316852 0.000000\n-5.480080 3.158426 0.000000\n0.000000 0.000000 4.912066\nNa V O\n4 2 6\ndirect\n0.501050 0.668313 0.007955 Na\n0.830638 0.668313 0.507955 Na\n0.498950 0.331687 0.507955 Na\n0.169363 0.331687 0.007955 Na\n0.830701 0.000000 0.045460 V\n0.169299 0.000000 0.545460 V\n0.838221 0.722824 0.987767 O\n0.438955 0.722824 0.487767 O\n0.561045 0.277176 0.987767 O\n0.161779 0.277176 0.487767 O\n0.886873 0.000000 0.421099 O\n0.113127 0.000000 0.921099 O\n","nsites":12,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":2.8304360229530467,"density_atomic":0.07057151687102402,"volume":170.04027307406628,"volume_molar":8.533387161007209,"formula_full":"Na4 V2 O6","formula_reduced":"Na2VO3","formula_anonymous":"AB2C3","energy_above_hull":1.5042487833333331,"spacegroup":36},{"id":"jvasp-86694","created_at":"2022-09-04T14:36:13.503536Z","updated_at":"2022-09-04T14:36:13.503551Z","structure_string":"Nb2 Br10\n1.0\n6.503387 -0.005268 -0.099435\n-3.161757 5.921287 -2.290263\n0.002286 -0.002082 9.660430\nNb Br\n2 10\ndirect\n0.107668 0.222816 0.723861 Nb\n0.892333 0.777184 0.276139 Nb\n0.875420 0.385324 0.648070 Br\n0.249078 0.188102 0.454451 Br\n0.124580 0.614676 0.351930 Br\n0.541536 0.412071 0.164747 Br\n0.458465 0.587930 0.835253 Br\n0.688371 0.995979 0.251731 Br\n0.750923 0.811899 0.545549 Br\n0.076829 0.813419 0.060853 Br\n0.923172 0.186581 0.939147 Br\n0.311630 0.004021 0.748269 Br\n","nsites":12,"nelements":2,"elements":["Nb","Br"],"chemical_system":"Br-Nb","density":4.398367390821603,"density_atomic":0.03227396657856775,"volume":371.8167077724146,"volume_molar":18.65943792604389,"formula_full":"Nb2 Br10","formula_reduced":"NbBr5","formula_anonymous":"AB5","energy_above_hull":0.7898183208333329,"spacegroup":2},{"id":"jvasp-86684","created_at":"2022-09-04T14:36:12.756921Z","updated_at":"2022-09-04T14:36:12.756946Z","structure_string":"Nd4 Al4 Pt4\n1.0\n4.486273 0.000000 0.000000\n-0.000000 7.188129 0.000000\n0.000000 0.000000 7.870251\nNd Al Pt\n4 4 4\ndirect\n0.749999 0.472258 0.817655 Nd\n0.250000 0.027742 0.317655 Nd\n0.749999 0.972258 0.682345 Nd\n0.250000 0.527742 0.182345 Nd\n0.749999 0.852837 0.068340 Al\n0.250000 0.647163 0.568340 Al\n0.749999 0.352837 0.431660 Al\n0.250000 0.147163 0.931660 Al\n0.749999 0.716145 0.390445 Pt\n0.749999 0.216144 0.109555 Pt\n0.250000 0.283856 0.609555 Pt\n0.250000 0.783856 0.890445 Pt\n","nsites":12,"nelements":3,"elements":["Nd","Al","Pt"],"chemical_system":"Al-Nd-Pt","density":9.586604302799458,"density_atomic":0.04728148437442306,"volume":253.79913847399015,"volume_molar":12.736784472142503,"formula_full":"Nd4 Al4 Pt4","formula_reduced":"NdAlPt","formula_anonymous":"ABC","energy_above_hull":1.3912052333333331,"spacegroup":62},{"id":"jvasp-85868","created_at":"2022-09-04T14:36:20.461112Z","updated_at":"2022-09-04T14:36:20.461134Z","structure_string":"Ni4 S8\n1.0\n5.633577 0.000000 0.000000\n-0.000000 5.633577 0.000000\n-0.000000 0.000000 5.633577\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393189 0.106812 0.893189 S\n0.106812 0.893189 0.393189 S\n0.893189 0.393189 0.106812 S\n0.606812 0.606812 0.606812 S\n0.393189 0.393189 0.393189 S\n0.106812 0.606812 0.893189 S\n0.893189 0.106812 0.606812 S\n0.606812 0.893189 0.106812 S\n","nsites":12,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":4.56286374518876,"density_atomic":0.06711638275375059,"volume":178.79390258601828,"volume_molar":8.972683736689419,"formula_full":"Ni4 S8","formula_reduced":"NiS2","formula_anonymous":"AB2","energy_above_hull":1.3166241333333333,"spacegroup":205},{"id":"jvasp-314","created_at":"2022-09-04T14:36:36.132729Z","updated_at":"2022-09-04T14:36:36.132748Z","structure_string":"Ti4 O8\n1.0\n0.000000 3.807249 -0.074389\n3.807770 0.000000 0.000000\n0.000000 -0.188531 -9.633029\nTi O\n4 8\ndirect\n-0.000305 0.250000 0.125004 Ti\n0.500249 0.750000 0.625008 Ti\n0.499752 0.250000 0.374992 Ti\n0.000305 0.750000 0.874996 Ti\n0.500254 0.250000 0.582806 O\n0.000274 0.250000 -0.082809 O\n0.499747 0.750000 0.417194 O\n-0.000274 0.750000 0.082809 O\n-0.000220 0.250000 0.332805 O\n0.500238 0.750000 0.832812 O\n0.000220 0.750000 0.667195 O\n0.499762 0.250000 0.167188 O\n","nsites":12,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.797161211936374,"density_atomic":0.0858954871093587,"volume":139.7046620705705,"volume_molar":7.011009498476739,"formula_full":"Ti4 O8","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.4766184444444446,"spacegroup":141},{"id":"jvasp-52295","created_at":"2022-09-04T14:36:35.670033Z","updated_at":"2022-09-04T14:36:35.670063Z","structure_string":"Bi4 O4 F4\n1.0\n3.626646 0.000000 0.000000\n0.000000 6.403873 0.000000\n0.000000 0.000000 7.671651\nBi O F\n4 4 4\ndirect\n0.750001 0.207407 0.102998 Bi\n0.250000 0.292593 0.602998 Bi\n0.750001 0.707407 0.397002 Bi\n0.250000 0.792592 0.897002 Bi\n0.750001 0.011244 0.858252 O\n0.250000 0.488756 0.358252 O\n0.750001 0.511244 0.641748 O\n0.250000 0.988755 0.141748 O\n0.750001 0.140112 0.420383 F\n0.250000 0.359887 0.920383 F\n0.750001 0.640112 0.079617 F\n0.250000 0.859887 0.579617 F\n","nsites":12,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":9.095433510991576,"density_atomic":0.06735107502669854,"volume":178.17087544991819,"volume_molar":8.941417427431965,"formula_full":"Bi4 O4 F4","formula_reduced":"BiOF","formula_anonymous":"ABC","energy_above_hull":0.2854126941666668,"spacegroup":62}]}