A possible superhard orthorhombic carbon

Caesium in high oxidation states and as a p-block element

Stacking Principle and Magic Sizes of Transition Metal Nanoclusters Based on Generalized Wulff Construction

Global structural optimization of tungsten borides

Structural Evolution of Carbon Dioxide under High Pressure

The Unusual and the Expected in the Si/C Phase Diagram

SiC2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cells

Unusual Metallic Microporous Boron Nitride Networks

Exploration of Structures of Two-Dimensional Boron–Silicon Compounds with sp² Silicon

Theoretical study of the ground-state structures and properties of niobium hydrides under pressure