{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=554","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=552","results":[{"id":"jvasp-66391","created_at":"2022-09-04T14:36:12.024761Z","updated_at":"2022-09-04T14:36:12.024783Z","structure_string":"Ba1 Tl1 Cl1\n1.0\n0.000000 3.912837 3.912837\n3.912837 0.000000 3.912837\n3.912837 3.912837 -0.000000\nBa Tl Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cl\n","nsites":3,"nelements":3,"elements":["Ba","Tl","Cl"],"chemical_system":"Ba-Cl-Tl","density":5.2272498534973115,"density_atomic":0.025038942879380424,"volume":119.81336490329633,"volume_molar":24.051098279229812,"formula_full":"Ba1 Tl1 Cl1","formula_reduced":"BaTlCl","formula_anonymous":"ABC","energy_above_hull":0.0535391666666666,"spacegroup":216},{"id":"jvasp-8141","created_at":"2022-09-04T14:36:35.211260Z","updated_at":"2022-09-04T14:36:35.211285Z","structure_string":"Sr1 Zn2 As2\n1.0\n2.128362 -3.686430 0.000000\n2.128362 3.686430 -0.000000\n0.000000 -0.000000 7.274554\nSr Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.368897 Zn\n0.333333 0.666667 0.631102 Zn\n0.666667 0.333333 0.731204 As\n0.333333 0.666667 0.268796 As\n","nsites":5,"nelements":3,"elements":["Sr","Zn","As"],"chemical_system":"As-Sr-Zn","density":5.357236156317469,"density_atomic":0.04380081067001822,"volume":114.15313834413833,"volume_molar":13.748925346083087,"formula_full":"Sr1 Zn2 As2","formula_reduced":"Sr(ZnAs)2","formula_anonymous":"AB2C2","energy_above_hull":0.0535681219999997,"spacegroup":164},{"id":"jvasp-3447","created_at":"2022-09-04T14:36:22.036837Z","updated_at":"2022-09-04T14:36:22.036860Z","structure_string":"Pt1 Pb1 F6\n1.0\n4.812049 -0.000047 -0.664007\n-0.761917 4.751348 -0.664007\n-0.000040 -0.000047 4.857646\nPt Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pb\n0.705575 0.705575 0.062621 F\n0.705575 0.062621 0.705575 F\n0.294424 0.937378 0.294424 F\n0.294424 0.294424 0.937378 F\n0.937378 0.294424 0.294424 F\n0.062621 0.705575 0.705575 F\n","nsites":8,"nelements":3,"elements":["Pt","Pb","F"],"chemical_system":"F-Pb-Pt","density":7.718960424908252,"density_atomic":0.07203094243989382,"volume":111.0633809445933,"volume_molar":8.360491416623033,"formula_full":"Pt1 Pb1 F6","formula_reduced":"PtPbF6","formula_anonymous":"ABC6","energy_above_hull":0.053597989375,"spacegroup":166},{"id":"jvasp-110720","created_at":"2022-09-04T14:38:37.643759Z","updated_at":"2022-09-04T14:38:37.643779Z","structure_string":"Rb2 Li1 Y1 Cl6\n1.0\n6.295958 -0.000000 3.634973\n2.098653 5.935886 3.634973\n-0.000000 -0.000000 7.269946\nRb Li Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.745676 0.254325 0.254324 Cl\n0.254324 0.254325 0.745676 Cl\n0.254324 0.745676 0.745675 Cl\n0.254324 0.745676 0.254324 Cl\n0.745676 0.254325 0.745675 Cl\n0.745675 0.745676 0.254324 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Y","Cl"],"chemical_system":"Cl-Li-Rb-Y","density":2.9306203278687075,"density_atomic":0.036806238940217235,"volume":271.6930685648855,"volume_molar":16.361739024140718,"formula_full":"Rb2 Li1 Y1 Cl6","formula_reduced":"Rb2LiYCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0536229855,"spacegroup":225},{"id":"jvasp-35079","created_at":"2022-09-04T14:37:29.356276Z","updated_at":"2022-09-04T14:37:29.356296Z","structure_string":"Sr2 Sn2 Hg2\n1.0\n2.493917 -4.319591 -0.000000\n2.493917 4.319591 0.000000\n-0.000000 -0.000000 8.169775\nSr Sn Hg\n2 2 2\ndirect\n0.000000 0.000000 0.248908 Sr\n0.000000 0.000000 0.748908 Sr\n0.666668 0.333334 0.034279 Sn\n0.333334 0.666668 0.534279 Sn\n0.666668 0.333334 0.446814 Hg\n0.333334 0.666668 0.946814 Hg\n","nsites":6,"nelements":3,"elements":["Sr","Sn","Hg"],"chemical_system":"Hg-Sn-Sr","density":7.67756344533436,"density_atomic":0.03408682378178416,"volume":176.0210936170114,"volume_molar":17.667063374846336,"formula_full":"Sr2 Sn2 Hg2","formula_reduced":"SrSnHg","formula_anonymous":"ABC","energy_above_hull":0.0537146333333333,"spacegroup":186},{"id":"jvasp-64502","created_at":"2022-09-04T14:36:14.915942Z","updated_at":"2022-09-04T14:36:14.915976Z","structure_string":"Ba4 Ge1 Pb1\n1.0\n0.000000 4.956763 4.956763\n4.956763 0.000000 4.956763\n4.956763 4.956763 0.000000\nBa Ge Pb\n4 1 1\ndirect\n0.125713 0.624762 0.624762 Ba\n0.624762 0.624762 0.624762 Ba\n0.624762 0.125713 0.624762 Ba\n0.624762 0.624762 0.125713 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pb\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Pb"],"chemical_system":"Ba-Ge-Pb","density":5.652709882512104,"density_atomic":0.024633537992996384,"volume":243.57037148727372,"volume_molar":24.446917701030877,"formula_full":"Ba4 Ge1 Pb1","formula_reduced":"Ba4GePb","formula_anonymous":"ABC4","energy_above_hull":0.0537151083333332,"spacegroup":216},{"id":"jvasp-56868","created_at":"2022-09-04T14:37:50.314114Z","updated_at":"2022-09-04T14:37:50.314134Z","structure_string":"Ge1 I2\n1.0\n2.059956 -3.567948 -0.000000\n2.059956 3.567948 0.000000\n0.000000 0.000000 7.941013\nGe I\n1 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666668 0.244771 I\n0.333334 0.666668 0.755229 I\n","nsites":3,"nelements":2,"elements":["Ge","I"],"chemical_system":"Ge-I","density":4.643890782727521,"density_atomic":0.02570034135566458,"volume":116.72996706476717,"volume_molar":23.432143085806395,"formula_full":"Ge1 I2","formula_reduced":"GeI2","formula_anonymous":"AB2","energy_above_hull":0.0537266666666666,"spacegroup":187},{"id":"jvasp-103623","created_at":"2022-09-04T14:36:43.585010Z","updated_at":"2022-09-04T14:36:43.585037Z","structure_string":"Nd1 Hg1 Au2\n1.0\n4.371633 -0.000000 2.523963\n1.457211 4.121615 2.523963\n-0.000000 -0.000000 5.047926\nNd Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500000 Hg\n0.750000 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Nd","Hg","Au"],"chemical_system":"Au-Hg-Nd","density":13.48749799904865,"density_atomic":0.04397804243900771,"volume":90.95448042162228,"volume_molar":13.693517096291838,"formula_full":"Nd1 Hg1 Au2","formula_reduced":"NdHgAu2","formula_anonymous":"ABC2","energy_above_hull":0.05374281,"spacegroup":225},{"id":"jvasp-2190","created_at":"2022-09-04T14:36:19.668607Z","updated_at":"2022-09-04T14:36:19.668633Z","structure_string":"K4 O4\n1.0\n4.854813 0.018252 0.000000\n-0.167696 4.851950 0.000000\n0.000000 0.000000 6.449965\nK O\n4 4\ndirect\n0.909050 0.590948 0.749999 K\n0.590948 0.909051 0.250000 K\n0.090948 0.409051 0.250000 K\n0.409051 0.090949 0.749999 K\n0.588361 0.411638 0.429769 O\n0.911638 0.088361 0.929769 O\n0.411638 0.588361 0.570230 O\n0.088361 0.911638 0.070230 O\n","nsites":8,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":2.4084628350960022,"density_atomic":0.05264866668913258,"volume":151.9506666187106,"volume_molar":11.438353786921356,"formula_full":"K4 O4","formula_reduced":"KO","formula_anonymous":"AB","energy_above_hull":0.0538333749999999,"spacegroup":64},{"id":"jvasp-90103","created_at":"2022-09-04T14:36:18.293353Z","updated_at":"2022-09-04T14:36:18.293369Z","structure_string":"K2 Tc1 F6\n1.0\n0.000018 0.000011 -4.562674\n-2.898124 -5.019763 0.000026\n-2.898159 5.019784 -0.000001\nK Tc F\n2 1 6\ndirect\n0.290536 0.333329 0.666665 K\n0.709462 0.666670 0.333334 K\n0.000000 0.000000 0.000000 Tc\n0.232351 0.836273 0.672589 F\n0.232344 0.327405 0.163681 F\n0.232353 0.836317 0.163728 F\n0.767647 0.163726 0.327410 F\n0.767654 0.672595 0.836318 F\n0.767645 0.163683 0.836271 F\n","nsites":9,"nelements":3,"elements":["K","Tc","F"],"chemical_system":"F-K-Tc","density":3.6297267833447395,"density_atomic":0.06779370458993349,"volume":132.7556895502121,"volume_molar":8.88303832402487,"formula_full":"K2 Tc1 F6","formula_reduced":"K2TcF6","formula_anonymous":"AB2C6","energy_above_hull":0.0539865772222221,"spacegroup":164},{"id":"jvasp-101518","created_at":"2022-09-04T14:36:41.637211Z","updated_at":"2022-09-04T14:36:41.637235Z","structure_string":"Na2 Li1 Ce1 Cl6\n1.0\n6.346329 -0.000000 3.664055\n2.115443 5.983376 3.664055\n-0.000000 -0.000000 7.328109\nNa Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ce\n0.738772 0.261228 0.261227 Cl\n0.261228 0.261228 0.738772 Cl\n0.261227 0.738773 0.738772 Cl\n0.261227 0.738773 0.261227 Cl\n0.738772 0.261228 0.738772 Cl\n0.738772 0.738773 0.261227 Cl\n","nsites":10,"nelements":4,"elements":["Na","Li","Ce","Cl"],"chemical_system":"Ce-Cl-Li-Na","density":2.42131719157441,"density_atomic":0.035936783379076936,"volume":278.26641840800323,"volume_molar":16.757595404340506,"formula_full":"Na2 Li1 Ce1 Cl6","formula_reduced":"Na2LiCeCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0540417904999999,"spacegroup":225},{"id":"jvasp-8302","created_at":"2022-09-04T14:37:05.693677Z","updated_at":"2022-09-04T14:37:05.693701Z","structure_string":"Sb1 F5\n1.0\n3.484420 0.000000 1.281363\n1.064242 4.601055 2.484285\n0.059412 1.120824 5.216724\nSb F\n1 5\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.764780 0.235219 F\n0.500000 0.235219 0.764780 F\n0.789405 0.210595 0.210594 F\n0.210594 0.789404 0.789405 F\n-0.000000 0.499999 0.500000 F\n","nsites":6,"nelements":2,"elements":["Sb","F"],"chemical_system":"F-Sb","density":4.7919388374626175,"density_atomic":0.07988224719206281,"volume":75.11055598591331,"volume_molar":7.538772345150508,"formula_full":"Sb1 F5","formula_reduced":"SbF5","formula_anonymous":"AB5","energy_above_hull":0.0541417608333332,"spacegroup":71}]}