Insights into the structural evolution and electronic properties of deficient-electron sodium chloride clusters

A predicted non-layered phase of In₂Se₃ by first principles

The superconductivity of N–Si–H compounds at high pressure

Adsorption of alkali metal atoms on predicted C₃N₂ sheet

Structural evolution, lattice dynamics, electronic and thermal properties of VH₂ under high pressure

The new valence state [Ga]⁻⁵ in Li-Ga-Te system under high pressure

Structural, mechanical and electronic properties of binary Ni–B compounds under pressure Author links open overlay panel

New high-pressure monoclinic phase of Sn

An energetic phase of ZnN₆ at ambient conditions

Prediction of stable Cu structure and phase transition mechanism at ultra-high pressure: A comprehensive properties characterization by DFT calculation