New Icosahedra-based B₄N phases by particle swarm optimization

Influence of pressure on phase transition, electronic and thermoelectric properties of SnSe

Structural, mechanical and electronic properties study on group 5 transition metals ternary mononitrides from first-principles calculations

Design of a multifunctional polar metal via first-principles high-throughput structure screenin

Formation mechanism of insensitive tellurium hexanitride with armchair-like cyclo-N6 anions

Superhard high-pressure structures of beryllium diborocarbides

High-Pressure FeN_x: Stability, Phase Transition, and Energetic Characteristic

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystal

All Boron atoms in ScB12 Monolayer contribution to Hydrogen Evolution Reaction

Pressure-induced Two-color Photoluminescence and Phase Transition of Two-Dimensional Layered MnCl2