Theoretical study on geometric structures and hydrogen storage in anionic CeH−

Crystal structure and physical properties of Ti₂B₅ predicted by first principles calculations Author links open overlay panel

The mechanical, lattice dynamics, thermal and intrinsic magnetic properties of novel orthorhombic L₁₀-like type FePt alloy

Theoretical study on mechanical and electronic properties of ternary diborides Sc_0.5V_0.5B₂, Sc_0.5Nb_0.5B₂ and Sc0.5Ta0.5B2

Structures and stabilities of UPb

Growth pattern and electronic and magnetic properties of Cr-doped silver clusters

Phonon-mediated superconductivity in Mg_1-x<Mo_xB₂ compounds: a crystal prediction via cluster expansion and particle-swarm optimization

Metal halide HgI₂ monolayer with auxetic property and photocatalysis application

Deciphering the structural evolutions and electronic features of Nd³+: K₂YF₅ nanocrystals

Weakness of ionic bonds and solid decomposition in calcium phosphides under high pressure