Physical properties of transition metal hydride superconductors Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) by first-principles calculations

In this work, a comprehensive first-principles investigation of the structural, hydrogen storage potential, electronic, elastic, mechanical, thermophysical, superconducting, and optical properties of Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) hydrides is presented. Obtained results demonstrate that Mg2TmH6 hydrides combine favorable hydrogen storage, mechanical robustness, superconductivity, and multifunctional optical properties, making them promising candidates for energy storage, superconducting and advanced optoelectronic applications.