{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3529","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3527","results":[{"id":"jvasp-113560","created_at":"2022-09-04T14:38:46.522490Z","updated_at":"2022-09-04T14:38:46.522507Z","structure_string":"Ca1 N2\n1.0\n3.769583 0.551402 0.983012\n-0.188908 -3.868471 0.342514\n-1.111607 1.413467 -3.087738\nCa N\n1 2\ndirect\n0.096359 0.075316 0.095504 Ca\n0.490484 0.680377 0.095598 N\n0.702262 0.470260 0.095379 N\n","nsites":3,"nelements":2,"elements":["Ca","N"],"chemical_system":"Ca-N","density":2.9613940160288004,"density_atomic":0.0785734980475221,"volume":38.180812545542615,"volume_molar":7.664340916014385,"formula_full":"Ca1 N2","formula_reduced":"CaN2","formula_anonymous":"AB2","energy_above_hull":2.682525639999999,"spacegroup":139},{"id":"jvasp-11978","created_at":"2022-09-04T14:36:45.396793Z","updated_at":"2022-09-04T14:36:45.396825Z","structure_string":"Nb2 Co4\n1.0\n4.124046 0.000000 2.381019\n1.374682 3.888188 2.381019\n0.000000 0.000000 4.762038\nNb Co\n2 4\ndirect\n0.875000 0.875000 0.875000 Nb\n0.125000 0.125000 0.125000 Nb\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n","nsites":6,"nelements":2,"elements":["Nb","Co"],"chemical_system":"Co-Nb","density":9.167058085733277,"density_atomic":0.07857558758628033,"volume":76.3595944276162,"volume_molar":7.664137100326941,"formula_full":"Nb2 Co4","formula_reduced":"NbCo2","formula_anonymous":"AB2","energy_above_hull":3.5125504000000003,"spacegroup":227},{"id":"jvasp-18933","created_at":"2022-09-04T14:36:53.886470Z","updated_at":"2022-09-04T14:36:53.886481Z","structure_string":"Nb2 Co4\n1.0\n4.124046 0.000000 2.381019\n1.374682 3.888188 2.381019\n0.000000 0.000000 4.762038\nNb Co\n2 4\ndirect\n0.875000 0.875000 0.875000 Nb\n0.125000 0.125000 0.125000 Nb\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n","nsites":6,"nelements":2,"elements":["Nb","Co"],"chemical_system":"Co-Nb","density":9.167058085733277,"density_atomic":0.07857558758628033,"volume":76.3595944276162,"volume_molar":7.664137100326941,"formula_full":"Nb2 Co4","formula_reduced":"NbCo2","formula_anonymous":"AB2","energy_above_hull":3.5125504000000003,"spacegroup":227},{"id":"jvasp-44105","created_at":"2022-09-04T14:35:42.655604Z","updated_at":"2022-09-04T14:35:42.655615Z","structure_string":"Tm6 Ta2 O14\n1.0\n5.217870 3.623155 0.000000\n-5.217870 3.623155 0.000000\n0.000000 -0.000000 7.404981\nTm Ta O\n6 2 14\ndirect\n0.056983 0.516345 0.250000 Tm\n0.483653 0.943016 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.943016 0.483653 0.750000 Tm\n0.516345 0.056983 0.250000 Tm\n0.499999 0.499999 0.000000 Ta\n0.499999 0.499999 0.500000 Ta\n0.825966 0.564491 0.462063 O\n0.435508 0.174032 0.962063 O\n0.435508 0.174032 0.537937 O\n0.825966 0.564491 0.037937 O\n0.412091 0.412091 0.250000 O\n0.587907 0.587907 0.750000 O\n0.564491 0.825966 0.037937 O\n0.174032 0.435508 0.962063 O\n0.564491 0.825966 0.462063 O\n0.845531 0.111332 0.750000 O\n0.111332 0.845531 0.750000 O\n0.154467 0.888666 0.250000 O\n0.174032 0.435508 0.537937 O\n0.888666 0.154467 0.250000 O\n","nsites":22,"nelements":3,"elements":["Tm","Ta","O"],"chemical_system":"O-Ta-Tm","density":9.486308093591598,"density_atomic":0.07857575600103216,"volume":279.98457946381086,"volume_molar":7.664120673456702,"formula_full":"Tm6 Ta2 O14","formula_reduced":"Tm3TaO7","formula_anonymous":"AB3C7","energy_above_hull":2.705450586363636,"spacegroup":63},{"id":"jvasp-35184","created_at":"2022-09-04T14:38:00.764806Z","updated_at":"2022-09-04T14:38:00.764828Z","structure_string":"Zn8 Si4 O16\n1.0\n5.116912 -0.000000 0.000000\n0.000000 6.706247 0.000000\n0.000000 0.000000 10.384260\nZn Si O\n8 4 16\ndirect\n0.329452 0.000254 0.655998 Zn\n0.170548 0.499747 0.155998 Zn\n0.670548 0.500254 0.344002 Zn\n0.829452 -0.000254 0.844002 Zn\n0.670548 -0.000254 0.344002 Zn\n0.829452 0.500254 0.844002 Zn\n0.329452 0.499747 0.655998 Zn\n0.170548 0.000254 0.155998 Zn\n0.327519 0.250000 0.908737 Si\n0.172481 0.250000 0.408737 Si\n0.672481 0.750000 0.091263 Si\n0.827519 0.750000 0.591263 Si\n0.210283 0.451029 0.837497 O\n0.289717 0.048971 0.337497 O\n0.210283 0.048971 0.837497 O\n0.289717 0.451029 0.337497 O\n0.789717 0.548971 0.162503 O\n0.710283 0.951029 0.662503 O\n0.261556 0.250000 0.560890 O\n0.352336 0.750000 0.110408 O\n0.738443 0.750000 0.439110 O\n0.761556 0.750000 0.939110 O\n0.647663 0.250000 0.889592 O\n0.852336 0.250000 0.389592 O\n0.710283 0.548971 0.662503 O\n0.147663 0.750000 0.610408 O\n0.238444 0.250000 0.060890 O\n0.789717 0.951029 0.162503 O\n","nsites":28,"nelements":3,"elements":["Zn","Si","O"],"chemical_system":"O-Si-Zn","density":4.154877788239725,"density_atomic":0.07857691695113543,"volume":356.3387453520522,"volume_molar":7.664007438399477,"formula_full":"Zn8 Si4 O16","formula_reduced":"Zn2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.2579747714285712,"spacegroup":62},{"id":"jvasp-110823","created_at":"2022-09-04T14:38:48.363633Z","updated_at":"2022-09-04T14:38:48.363657Z","structure_string":"Mg1 Al1 Ni2\n1.0\n3.602581 -0.000000 2.079951\n1.200860 3.396546 2.079951\n-0.000000 -0.000000 4.159902\nMg Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 0.499999 Al\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.749999 Ni\n","nsites":4,"nelements":3,"elements":["Mg","Al","Ni"],"chemical_system":"Al-Mg-Ni","density":5.502514354194646,"density_atomic":0.0785824630291205,"volume":50.901942313995804,"volume_molar":7.663466539307072,"formula_full":"Mg1 Al1 Ni2","formula_reduced":"MgAlNi2","formula_anonymous":"ABC2","energy_above_hull":0.6087666625000001,"spacegroup":225},{"id":"jvasp-51430","created_at":"2022-09-04T14:37:15.226418Z","updated_at":"2022-09-04T14:37:15.226427Z","structure_string":"Al2 F6\n1.0\n3.549898 -0.652911 -0.390818\n1.036150 5.143011 0.543337\n0.982850 1.907036 5.525837\nAl F\n2 6\ndirect\n0.305776 0.558002 0.520328 Al\n0.305657 0.827707 0.982891 Al\n0.305709 0.192859 0.751605 F\n0.305722 0.692861 0.751608 F\n0.805672 0.831157 -0.023635 F\n0.805762 0.554579 0.526855 F\n0.303683 0.914741 0.252377 F\n0.307747 0.470959 0.250838 F\n","nsites":8,"nelements":2,"elements":["Al","F"],"chemical_system":"Al-F","density":2.739600277396196,"density_atomic":0.07858488858379675,"volume":101.80074240952099,"volume_molar":7.663230003282963,"formula_full":"Al2 F6","formula_reduced":"AlF3","formula_anonymous":"AB3","energy_above_hull":0.0167399999999999,"spacegroup":65},{"id":"jvasp-102336","created_at":"2022-09-04T14:36:49.142198Z","updated_at":"2022-09-04T14:36:49.142226Z","structure_string":"In1 Ga3 N4\n1.0\n3.295028 0.000000 0.000000\n-1.647514 2.853578 0.000000\n-0.000000 -0.000000 10.826755\nIn Ga N\n1 3 4\ndirect\n0.666668 0.333334 0.998091 In\n0.333335 0.666667 0.259113 Ga\n0.333335 0.666667 0.737926 Ga\n0.666668 0.333334 0.498377 Ga\n0.333335 0.666667 0.079849 N\n0.333335 0.666667 0.556208 N\n0.666668 0.333334 0.316750 N\n0.666668 0.333334 0.795485 N\n","nsites":8,"nelements":3,"elements":["In","Ga","N"],"chemical_system":"Ga-In-N","density":6.198709714596616,"density_atomic":0.07858557230201751,"volume":101.79985671230668,"volume_molar":7.663163330866771,"formula_full":"In1 Ga3 N4","formula_reduced":"InGa3N4","formula_anonymous":"AB3C4","energy_above_hull":2.690902493125,"spacegroup":156},{"id":"jvasp-109702","created_at":"2022-09-04T14:38:12.412934Z","updated_at":"2022-09-04T14:38:12.412949Z","structure_string":"Nb4 C3\n1.0\n3.123325 -0.000431 9.981371\n1.524840 2.725807 9.981371\n-0.000736 -0.000431 10.458630\nNb C\n4 3\ndirect\n0.373569 0.373570 0.373569 Nb\n0.624464 0.624466 0.624464 Nb\n0.209320 0.209321 0.209320 Nb\n0.794357 0.794360 0.794357 Nb\n0.503274 0.503276 0.503274 C\n0.995515 0.995518 0.995515 C\n0.084495 0.084496 0.084495 C\n","nsites":7,"nelements":2,"elements":["Nb","C"],"chemical_system":"C-Nb","density":7.599637253358921,"density_atomic":0.0785861912659405,"volume":89.07417304792861,"volume_molar":7.663102973931776,"formula_full":"Nb4 C3","formula_reduced":"Nb4C3","formula_anonymous":"A3B4","energy_above_hull":6.461538228571428,"spacegroup":160},{"id":"jvasp-42492","created_at":"2022-09-04T14:36:57.790362Z","updated_at":"2022-09-04T14:36:57.790386Z","structure_string":"Ti4 Cd2 O10\n1.0\n1.848503 5.148307 0.000000\n-1.848503 5.148307 0.000000\n0.000000 -0.000000 10.696572\nTi Cd O\n4 2 10\ndirect\n0.128350 0.128350 0.566432 Ti\n0.128350 0.128350 0.933567 Ti\n0.871651 0.871651 0.066433 Ti\n0.871651 0.871651 0.433567 Ti\n0.189542 0.189542 0.250000 Cd\n0.810459 0.810459 0.750000 Cd\n0.044407 0.044407 0.103828 O\n0.044407 0.044407 0.396172 O\n0.316208 0.316208 0.052120 O\n0.316208 0.316208 0.447880 O\n0.815068 0.815068 0.250000 O\n0.184933 0.184933 0.750000 O\n0.683792 0.683792 0.552120 O\n0.955594 0.955594 0.603828 O\n0.683792 0.683792 0.947880 O\n0.955594 0.955594 0.896172 O\n","nsites":16,"nelements":3,"elements":["Ti","Cd","O"],"chemical_system":"Cd-O-Ti","density":4.700309423544928,"density_atomic":0.07858882071735168,"volume":203.591297769243,"volume_molar":7.662846579234095,"formula_full":"Ti4 Cd2 O10","formula_reduced":"Ti2CdO5","formula_anonymous":"AB2C5","energy_above_hull":2.255342989583333,"spacegroup":63},{"id":"jvasp-72027","created_at":"2022-09-04T14:36:00.031480Z","updated_at":"2022-09-04T14:36:00.031502Z","structure_string":"Mn1 Be1 Ir2\n1.0\n-1.804322 1.804322 3.908463\n1.804322 -1.804322 3.908463\n1.804322 1.804322 -3.908463\nMn Be Ir\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ir\n0.250000 0.749999 0.499999 Ir\n","nsites":4,"nelements":3,"elements":["Mn","Be","Ir"],"chemical_system":"Be-Ir-Mn","density":14.628686706628848,"density_atomic":0.07858974977877967,"volume":50.897222745453455,"volume_molar":7.662755991654859,"formula_full":"Mn1 Be1 Ir2","formula_reduced":"MnBeIr2","formula_anonymous":"ABC2","energy_above_hull":3.7804663853448273,"spacegroup":119},{"id":"jvasp-71996","created_at":"2022-09-04T14:35:52.944059Z","updated_at":"2022-09-04T14:35:52.944086Z","structure_string":"Be1 Nb1 Cr2\n1.0\n-1.757201 1.757201 4.120819\n1.757201 -1.757201 4.120819\n1.757201 1.757201 -4.120819\nBe Nb Cr\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n","nsites":4,"nelements":3,"elements":["Be","Nb","Cr"],"chemical_system":"Be-Cr-Nb","density":6.718026755093925,"density_atomic":0.07859113796607234,"volume":50.8963237270695,"volume_molar":7.6626206412735085,"formula_full":"Be1 Nb1 Cr2","formula_reduced":"BeNbCr2","formula_anonymous":"ABC2","energy_above_hull":4.277390075,"spacegroup":139}]}