{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4550","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4548","results":[{"id":"jvasp-101426","created_at":"2022-09-04T14:36:40.325579Z","updated_at":"2022-09-04T14:36:40.325599Z","structure_string":"Sc2 O4\n1.0\n3.265223 0.000000 0.000000\n0.000000 4.337862 -0.000000\n0.000000 0.000000 5.020475\nSc O\n2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.780606 0.873595 O\n0.500000 0.719393 0.373595 O\n0.000000 0.219393 0.126404 O\n0.500000 0.280606 0.626404 O\n","nsites":6,"nelements":2,"elements":["Sc","O"],"chemical_system":"O-Sc","density":3.59402358552351,"density_atomic":0.08437579209286918,"volume":71.11044354281181,"volume_molar":7.137285008680765,"formula_full":"Sc2 O4","formula_reduced":"ScO2","formula_anonymous":"AB2","energy_above_hull":1.2548707500000005,"spacegroup":58},{"id":"jvasp-101425","created_at":"2022-09-04T14:37:00.033070Z","updated_at":"2022-09-04T14:37:00.033086Z","structure_string":"Tb3 Bi3 Rh3\n1.0\n7.682195 0.000000 -0.000000\n-3.841097 6.652975 -0.000000\n0.000000 0.000000 3.991433\nTb Bi Rh\n3 3 3\ndirect\n0.600335 0.000000 0.000000 Tb\n-0.000000 0.600336 0.000000 Tb\n0.399664 0.399665 0.000000 Tb\n0.266212 0.000000 0.500000 Bi\n-0.000000 0.266212 0.500000 Bi\n0.733788 0.733789 0.500000 Bi\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n","nsites":9,"nelements":3,"elements":["Tb","Bi","Rh"],"chemical_system":"Bi-Rh-Tb","density":11.497068580995998,"density_atomic":0.04411765777435745,"volume":203.99995045138317,"volume_molar":13.65018240723617,"formula_full":"Tb3 Bi3 Rh3","formula_reduced":"TbBiRh","formula_anonymous":"ABC","energy_above_hull":1.2924019,"spacegroup":189},{"id":"jvasp-101424","created_at":"2022-09-04T14:36:58.886565Z","updated_at":"2022-09-04T14:36:58.886588Z","structure_string":"Na2 Ce1 F6\n1.0\n5.955697 -0.000000 0.000000\n-2.977848 5.157786 0.000000\n0.000000 0.000000 3.713185\nNa Ce F\n2 1 6\ndirect\n0.333333 0.666668 0.455178 Na\n0.666667 0.333333 0.544823 Na\n0.000000 0.000000 0.000000 Ce\n0.251672 1.000001 0.500001 F\n1.000001 0.251672 0.500001 F\n0.748329 0.748329 0.500001 F\n0.627326 1.000001 0.000000 F\n1.000001 0.627326 0.000000 F\n0.372675 0.372675 0.000000 F\n","nsites":9,"nelements":3,"elements":["Na","Ce","F"],"chemical_system":"Ce-F-Na","density":4.368700476345384,"density_atomic":0.0789041795593364,"volume":114.06239885216661,"volume_molar":7.6322202367889975,"formula_full":"Na2 Ce1 F6","formula_reduced":"Na2CeF6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":150},{"id":"jvasp-101422","created_at":"2022-09-04T14:36:39.347662Z","updated_at":"2022-09-04T14:36:39.347699Z","structure_string":"Pr4 Cd2 Rh4\n1.0\n7.673496 0.000000 -0.000000\n0.000000 7.673496 -0.000000\n-0.000000 -0.000000 3.932548\nPr Cd Rh\n4 2 4\ndirect\n0.668920 0.168919 0.500000 Pr\n0.331081 0.831081 0.500000 Pr\n0.168919 0.331081 0.500000 Pr\n0.831081 0.668920 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.132949 0.632950 0.000000 Rh\n0.867051 0.367051 0.000000 Rh\n0.632950 0.867051 0.000000 Rh\n0.367051 0.132949 0.000000 Rh\n","nsites":10,"nelements":3,"elements":["Pr","Cd","Rh"],"chemical_system":"Cd-Pr-Rh","density":8.605909345678663,"density_atomic":0.04318564651346372,"volume":231.5584183018393,"volume_molar":13.944773891766365,"formula_full":"Pr4 Cd2 Rh4","formula_reduced":"Pr2CdRh2","formula_anonymous":"AB2C2","energy_above_hull":1.4253030900000003,"spacegroup":127},{"id":"jvasp-10142","created_at":"2022-09-04T14:37:02.129474Z","updated_at":"2022-09-04T14:37:02.129497Z","structure_string":"Ge4 F8\n1.0\n4.556157 0.000000 0.000000\n0.000000 5.193132 0.000000\n0.000000 0.000000 7.920541\nGe F\n4 8\ndirect\n0.244455 0.989705 0.623711 Ge\n0.744456 0.510294 0.376289 Ge\n0.755545 0.489706 0.876289 Ge\n0.255545 0.010294 0.123711 Ge\n0.424302 0.774851 0.794716 F\n0.924303 0.725148 0.205284 F\n0.575698 0.274852 0.705284 F\n0.075698 0.225148 0.294716 F\n0.962147 0.104960 0.961935 F\n0.462147 0.395040 0.038065 F\n0.037854 0.604960 0.538065 F\n0.537854 0.895040 0.461935 F\n","nsites":12,"nelements":2,"elements":["Ge","F"],"chemical_system":"F-Ge","density":3.921261729762038,"density_atomic":0.06403219019955922,"volume":187.40574018476423,"volume_molar":9.404864555205322,"formula_full":"Ge4 F8","formula_reduced":"GeF2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":19},{"id":"jvasp-101419","created_at":"2022-09-04T14:36:38.910183Z","updated_at":"2022-09-04T14:36:38.910202Z","structure_string":"Zr1 Sc1 Ru2\n1.0\n3.961061 -0.000000 2.286920\n1.320354 3.734525 2.286920\n0.000000 0.000000 4.573841\nZr Sc Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500001 0.500000 Sc\n0.250000 0.250000 0.250000 Ru\n0.749999 0.750001 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Ru"],"chemical_system":"Ru-Sc-Zr","density":8.303261044127263,"density_atomic":0.059119673443328476,"volume":67.65937237177671,"volume_molar":10.186356603902361,"formula_full":"Zr1 Sc1 Ru2","formula_reduced":"ZrScRu2","formula_anonymous":"ABC2","energy_above_hull":3.7971451875,"spacegroup":225},{"id":"jvasp-101418","created_at":"2022-09-04T14:36:56.326071Z","updated_at":"2022-09-04T14:36:56.326091Z","structure_string":"Zn1 Ga1 Co2\n1.0\n3.517172 -0.000000 2.030640\n1.172391 3.316021 2.030640\n-0.000000 -0.000000 4.061280\nZn Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":4,"nelements":3,"elements":["Zn","Ga","Co"],"chemical_system":"Co-Ga-Zn","density":8.869375526598192,"density_atomic":0.08444737991088672,"volume":47.36677448395686,"volume_molar":7.131234582239114,"formula_full":"Zn1 Ga1 Co2","formula_reduced":"ZnGaCo2","formula_anonymous":"ABC2","energy_above_hull":1.09513613125,"spacegroup":225},{"id":"jvasp-101417","created_at":"2022-09-04T14:36:38.040043Z","updated_at":"2022-09-04T14:36:38.040053Z","structure_string":"Y1 Bi3\n1.0\n4.375847 0.036371 -4.796009\n-0.631023 4.330262 -4.796009\n-0.031192 -0.036371 6.492209\nY Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.750001 0.250000 0.500000 Bi\n0.250001 0.750000 0.500000 Bi\n0.500001 0.500000 -0.000000 Bi\n","nsites":4,"nelements":2,"elements":["Y","Bi"],"chemical_system":"Bi-Y","density":9.77130452575222,"density_atomic":0.0328808626274231,"volume":121.65130961813463,"volume_molar":18.315032753968715,"formula_full":"Y1 Bi3","formula_reduced":"YBi3","formula_anonymous":"AB3","energy_above_hull":1.3093670875,"spacegroup":139},{"id":"jvasp-101416","created_at":"2022-09-04T14:36:53.662995Z","updated_at":"2022-09-04T14:36:53.663015Z","structure_string":"Tl1 Zn3\n1.0\n4.303371 -0.000000 -0.000000\n-0.000000 4.303371 -0.000000\n-0.000000 -0.000000 4.303371\nTl Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n","nsites":4,"nelements":2,"elements":["Tl","Zn"],"chemical_system":"Tl-Zn","density":8.34727731584155,"density_atomic":0.05019189868670327,"volume":79.69413599927574,"volume_molar":11.998232618355544,"formula_full":"Tl1 Zn3","formula_reduced":"TlZn3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-101415","created_at":"2022-09-04T14:36:52.451371Z","updated_at":"2022-09-04T14:36:52.451397Z","structure_string":"Tb3 Sc1\n1.0\n4.873749 -0.000000 0.000000\n0.000000 4.873749 0.000000\n0.000000 0.000000 4.873749\nTb Sc\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Sc\n","nsites":4,"nelements":2,"elements":["Tb","Sc"],"chemical_system":"Sc-Tb","density":7.483539635908039,"density_atomic":0.03455178702358398,"volume":115.76825237055681,"volume_molar":17.429317782867418,"formula_full":"Tb3 Sc1","formula_reduced":"Tb3Sc","formula_anonymous":"AB3","energy_above_hull":1.7288451125000002,"spacegroup":221},{"id":"jvasp-101413","created_at":"2022-09-04T14:36:36.023992Z","updated_at":"2022-09-04T14:36:36.024013Z","structure_string":"Ta2 Re1 W1\n1.0\n3.944546 -0.000000 2.277385\n1.314849 3.718953 2.277385\n-0.000000 0.000000 4.554769\nTa Re W\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ta\n0.750001 0.749999 0.749998 Ta\n0.500001 0.500000 0.499999 Re\n0.000000 0.000000 0.000000 W\n","nsites":4,"nelements":3,"elements":["Ta","Re","W"],"chemical_system":"Re-Ta-W","density":18.190395672204442,"density_atomic":0.05986540436903368,"volume":66.81655360318693,"volume_molar":10.059467272411922,"formula_full":"Ta2 Re1 W1","formula_reduced":"Ta2ReW","formula_anonymous":"ABC2","energy_above_hull":6.982814100000001,"spacegroup":225},{"id":"jvasp-101412","created_at":"2022-09-04T14:36:50.629319Z","updated_at":"2022-09-04T14:36:50.629329Z","structure_string":"Sm2 Mg1 In1\n1.0\n4.659976 -0.000000 2.690438\n1.553326 4.393467 2.690438\n-0.000000 -0.000000 5.380877\nSm Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Sm","Mg","In"],"chemical_system":"In-Mg-Sm","density":6.629834216570803,"density_atomic":0.036309132923748884,"volume":110.16512039547221,"volume_molar":16.58574654659701,"formula_full":"Sm2 Mg1 In1","formula_reduced":"Sm2MgIn","formula_anonymous":"ABC2","energy_above_hull":0.4113047187499999,"spacegroup":225}]}