Fig. 2: Theoretical study of stability and electronic properties.
From: Synthesis of molecular metallic barium superhydride: pseudocubic BaH12
a Dependence of the Gibbs free energies of formation on the temperature for different modifications of BaH12 — Immm, pseudocubic Cmc21, P21, and P1 — calculated within the harmonic approach in the temperature range of 100 to 2000 K at 100, 150, and 200 GPa. b Phonon and c electron densities of states for pseudocubic BaH12 structures with various degrees of distortion: Cmc21, P21, and P1.
