Fig. 1: Energetic stability and structures of Xe-Fe oxides.
From: Xenon iron oxides predicted as potential Xe hosts in Earth’s lower mantle
a The ground-state convex hull with solid lines for the FeO2-Xe system constructed from calculated formation enthalpy (ΔH) data, identifying two stable Xe-Fe oxides, Xe2FeO2 and XeFe3O6, at 150 GPa and 200 GPa. The solid and open symbols represent the stable structures lying on the convex hull and the unstable structures above the convex hull, respectively. b Phonon dispersions of Xe2FeO2 at 150 GPa. c Phonon dispersions of Xe3FeO6 at 150 GPa. d The structure of Xe2FeO2 with a polyhedral and an enlarged view. e The structure of Xe3FeO6 with a polyhedral and an enlarged view. Xe, Fe, and O atoms are, respectively, shown in purple, gray, and red spheres.
