Fig. 3: Calculated energetic terms and the mean square deviations. | Nature Communications

Fig. 3: Calculated energetic terms and the mean square deviations.

From: Xenon iron oxides predicted as potential Xe hosts in Earth’s lower mantle

Fig. 3

a Various energetic term (ΔE) for the two Xe-Fe oxides, enthalpy (H), pressure–volume (PV) terms, internal energy (U), and Gibbs free energy (G) at 150 GPa, 2000 K. b Mean square deviations (MSD) of Xe, O, and Fe atomic positions in Xe2FeO2 at 150 GPa, 3000 K. c MSD of Xe, O, and Fe atomic positions in XeFe3O6 at 150 GPa, 3000 K.

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