Applying first principles calculations we have explored the effect of metal atoms on the superconducting properties of decahydrides of Gallium (Ga), Niobium (Nb) and Molybdenum (Mo) at 150 GPa. These atoms owing to their apt electronegativities, metallic radii and other physical parameters stabilise the host guest type clathrate structure of decahydrides. Our calculations show the highest density of state (DOS) (N(E_F) = 2.62 states/eV/f.u.) at the Fermi level for NbH₁₀ along with presence of van Hove singularity among all decahydrides. This N(E_F) value is ~163% enhanced compared to that of LaH₁₀ at 150 GPa making it a sought for high T_C material. Our correlative analysis establishes a pivotal role for chemical properties, in particular, electronegativity of metal atoms in tuning the H–H distances and hence the superconductivity of decahydrides.

应用第一性原理计算，我们探索了金属原子对镓 (Ga)、铌 (Nb) 和钼 (Mo) 十氢化物在 150 GPa 的超导性能的影响。这些原子由于其合适的电负性、金属半径和其他物理参数而稳定了十氢化物的主体客体型包合物结构。我们的计算显示NbH ₁₀在费米能级的最高态密度 (DOS) (N(E _F ) = 2.62 states/eV/fu)以及所有十氢化物中范霍夫奇点的存在。与150 GPa的 LaH ₁₀相比，该 N( _EF ) 值提高了约 163%，使其成为寻求高 T _{C 的对象}材料。我们的相关分析确立了化学性质的关键作用，特别是金属原子的电负性在调节 H-H 距离以及十氢化物的超导性方面的作用。