{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=614","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=612","results":[{"id":"jvasp-110444","created_at":"2022-09-04T14:38:38.674236Z","updated_at":"2022-09-04T14:38:38.674260Z","structure_string":"Li1 Pr2 Ga1\n1.0\n4.562226 0.000000 2.634003\n1.520742 4.301308 2.634003\n-0.000000 -0.000000 5.268004\nLi Pr Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.749998 Pr\n0.250000 0.250000 0.249999 Pr\n0.500000 0.500000 0.499999 Ga\n","nsites":4,"nelements":3,"elements":["Li","Pr","Ga"],"chemical_system":"Ga-Li-Pr","density":5.758239803703389,"density_atomic":0.03869337017754742,"volume":103.37688295554771,"volume_molar":15.563753512208828,"formula_full":"Li1 Pr2 Ga1","formula_reduced":"LiPr2Ga","formula_anonymous":"ABC2","energy_above_hull":0.8355805062499999,"spacegroup":225},{"id":"jvasp-110445","created_at":"2022-09-04T14:38:39.432288Z","updated_at":"2022-09-04T14:38:39.432309Z","structure_string":"Li1 Si1 Ag2\n1.0\n3.850076 -0.000000 2.222842\n1.283359 3.629886 2.222842\n0.000000 0.000000 4.445684\nLi Si Ag\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.000000 0.000000 Si\n0.750001 0.750001 0.749998 Ag\n0.250000 0.250000 0.249999 Ag\n","nsites":4,"nelements":3,"elements":["Li","Si","Ag"],"chemical_system":"Ag-Li-Si","density":6.702109252555775,"density_atomic":0.06438120682403525,"volume":62.12993196807692,"volume_molar":9.353879893024574,"formula_full":"Li1 Si1 Ag2","formula_reduced":"LiSiAg2","formula_anonymous":"ABC2","energy_above_hull":0.7974157799999998,"spacegroup":225},{"id":"jvasp-110446","created_at":"2022-09-04T14:38:38.826329Z","updated_at":"2022-09-04T14:38:38.826346Z","structure_string":"Lu6 Sc2\n1.0\n6.870542 0.000000 -0.000000\n-3.435272 5.950064 -0.000000\n-0.000000 0.000000 5.339579\nLu Sc\n6 2\ndirect\n0.831655 0.168345 0.750000 Lu\n0.336691 0.168345 0.750000 Lu\n0.831655 0.663308 0.750000 Lu\n0.168345 0.831654 0.250000 Lu\n0.663309 0.831654 0.250000 Lu\n0.168345 0.336691 0.250000 Lu\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n","nsites":8,"nelements":2,"elements":["Lu","Sc"],"chemical_system":"Lu-Sc","density":8.670123049787714,"density_atomic":0.03664969246201628,"volume":218.28286849313116,"volume_molar":16.431626994527562,"formula_full":"Lu6 Sc2","formula_reduced":"Lu3Sc","formula_anonymous":"AB3","energy_above_hull":1.654390625,"spacegroup":194},{"id":"jvasp-110447","created_at":"2022-09-04T14:38:38.658422Z","updated_at":"2022-09-04T14:38:38.658433Z","structure_string":"Mg1 Zn2 Pt1\n1.0\n3.826805 0.000000 2.209407\n1.275601 3.607947 2.209407\n0.000000 0.000000 4.418815\nMg Zn Pt\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Pt"],"chemical_system":"Mg-Pt-Zn","density":9.53172751313339,"density_atomic":0.06556282974342686,"volume":61.01017932956179,"volume_molar":9.185297192886587,"formula_full":"Mg1 Zn2 Pt1","formula_reduced":"MgZn2Pt","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110448","created_at":"2022-09-04T14:38:38.730887Z","updated_at":"2022-09-04T14:38:38.730914Z","structure_string":"Mg2 Hg1 Au1\n1.0\n4.128605 0.000000 2.383651\n1.376202 3.892486 2.383651\n0.000000 0.000000 4.767303\nMg Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500001 0.499999 Au\n","nsites":4,"nelements":3,"elements":["Mg","Hg","Au"],"chemical_system":"Au-Hg-Mg","density":9.670367396625752,"density_atomic":0.0522103785714346,"volume":76.61312002415711,"volume_molar":11.534374821206217,"formula_full":"Mg2 Hg1 Au1","formula_reduced":"Mg2HgAu","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-11045","created_at":"2022-09-04T14:37:19.228838Z","updated_at":"2022-09-04T14:37:19.228864Z","structure_string":"Sr2 Y1 Tl1 Co2 O7\n1.0\n3.772781 -0.000000 -0.000000\n-0.000000 3.772781 -0.000000\n-0.000000 0.000000 12.190734\nSr Y Tl Co O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.794484 Sr\n0.500000 0.500000 0.205516 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.638294 Co\n0.000000 0.000000 0.361706 Co\n0.500000 0.000000 0.618878 O\n0.000000 0.500000 0.618878 O\n0.500000 0.000000 0.381122 O\n0.000000 0.500000 0.381122 O\n0.000000 0.000000 0.805511 O\n0.000000 0.000000 0.194489 O\n0.500000 0.500000 0.000000 O\n","nsites":13,"nelements":5,"elements":["Sr","Y","Tl","Co","O"],"chemical_system":"Co-O-Sr-Tl-Y","density":6.683360618695522,"density_atomic":0.07491871238322374,"volume":173.5214018829165,"volume_molar":8.038233130857325,"formula_full":"Sr2 Y1 Tl1 Co2 O7","formula_reduced":"Sr2YTlCo2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.157068997692308,"spacegroup":123},{"id":"jvasp-110450","created_at":"2022-09-04T14:38:38.802311Z","updated_at":"2022-09-04T14:38:38.802336Z","structure_string":"Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n","nsites":4,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":4.886871418987632,"density_atomic":0.04115572152758052,"volume":97.19183266704239,"volume_molar":14.632572426082389,"formula_full":"Mg2 Sn2","formula_reduced":"MgSn","formula_anonymous":"AB","energy_above_hull":0.2595078714285714,"spacegroup":12},{"id":"jvasp-110451","created_at":"2022-09-04T14:38:38.874506Z","updated_at":"2022-09-04T14:38:38.874535Z","structure_string":"Na3 Sn1\n1.0\n4.671806 -0.000000 2.697269\n1.557269 4.404621 2.697269\n0.000000 0.000000 5.394537\nNa Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Na","Sn"],"chemical_system":"Na-Sn","density":2.807488391706317,"density_atomic":0.03603399965046288,"volume":111.00627293114317,"volume_molar":16.71238502085805,"formula_full":"Na3 Sn1","formula_reduced":"Na3Sn","formula_anonymous":"AB3","energy_above_hull":0.002265,"spacegroup":225},{"id":"jvasp-110453","created_at":"2022-09-04T14:38:38.745249Z","updated_at":"2022-09-04T14:38:38.745276Z","structure_string":"Nd6 Cd2\n1.0\n7.107115 0.000000 -0.000000\n-3.553558 6.154941 0.000000\n-0.000000 0.000000 5.557595\nNd Cd\n6 2\ndirect\n0.174606 0.349213 0.250000 Nd\n0.650787 0.825394 0.250000 Nd\n0.174606 0.825394 0.250000 Nd\n0.825394 0.650787 0.749999 Nd\n0.349213 0.174606 0.749999 Nd\n0.825395 0.174606 0.749999 Nd\n0.333333 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n","nsites":8,"nelements":2,"elements":["Nd","Cd"],"chemical_system":"Cd-Nd","density":7.4469874299289325,"density_atomic":0.03290681539244687,"volume":243.11073267321535,"volume_molar":18.300588155310425,"formula_full":"Nd6 Cd2","formula_reduced":"Nd3Cd","formula_anonymous":"AB3","energy_above_hull":1.0894310000000005,"spacegroup":194},{"id":"jvasp-110454","created_at":"2022-09-04T14:38:38.996071Z","updated_at":"2022-09-04T14:38:38.996087Z","structure_string":"Nd2 Cd6\n1.0\n6.776999 -0.000000 -0.000000\n-3.388499 5.869053 0.000000\n0.000000 -0.000000 4.993223\nNd Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.840482 0.159518 0.750000 Cd\n0.319037 0.159518 0.750000 Cd\n0.840481 0.680962 0.750000 Cd\n0.159518 0.840481 0.250000 Cd\n0.680963 0.840481 0.250000 Cd\n0.159518 0.319037 0.250000 Cd\n","nsites":8,"nelements":2,"elements":["Nd","Cd"],"chemical_system":"Cd-Nd","density":8.05130760995715,"density_atomic":0.04028130868350539,"volume":198.60327932383893,"volume_molar":14.950211293571947,"formula_full":"Nd2 Cd6","formula_reduced":"NdCd3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-110455","created_at":"2022-09-04T14:38:39.599972Z","updated_at":"2022-09-04T14:38:39.599997Z","structure_string":"Pb4\n1.0\n3.539629 0.000000 0.000000\n-1.769814 3.065408 -0.000000\n0.000000 0.000000 11.601051\nPb\n4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.250000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666668 0.333333 0.750000 Pb\n","nsites":4,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":10.933405932528048,"density_atomic":0.03177727294143665,"volume":125.87612559994457,"volume_molar":18.95109366715764,"formula_full":"Pb4","formula_reduced":"Pb","formula_anonymous":"A","energy_above_hull":0.0098908199999999,"spacegroup":194},{"id":"jvasp-110456","created_at":"2022-09-04T14:38:39.190342Z","updated_at":"2022-09-04T14:38:39.190364Z","structure_string":"Pm2 Ga1 Hg1\n1.0\n4.571927 0.000000 2.639603\n1.523975 4.310453 2.639603\n-0.000000 -0.000000 5.279206\nPm Ga Hg\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Pm\n0.750002 0.749999 0.749999 Pm\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Pm","Ga","Hg"],"chemical_system":"Ga-Hg-Pm","density":8.94311851063008,"density_atomic":0.038447595199816983,"volume":104.03771625277204,"volume_molar":15.663244290578325,"formula_full":"Pm2 Ga1 Hg1","formula_reduced":"Pm2GaHg","formula_anonymous":"ABC2","energy_above_hull":0.14477481875,"spacegroup":225}]}