Pressure induced superconductive 10-fold coordinated TaS₂: a first-principles study

Pressure-induced phase transitions and structural evolution across the insulator-metal transition in bulk and nanoscale BiFeO₃

Structure and superconductivity of protactinium hydrides under high pressure

Structural evolution and electronic properties of medium-sized boron clusters doped with scandium

B₃Si₁₂: A hexagonal prism with three short B-B single bonds at the center coordinated by a Si₁₂ cage and reinforced by aromaticity

Two-dimensional selenium allotropes from first principles and swarm intelligence

Hydrostatic pressure induced structural phase transition and mechanical properties of fluoroperovskite

Computational prediction of a +4 oxidation state in Au via compressed AuO₂ compounds

Structural and electronic properties of tungsten oxides under high pressures

Isoelectronic analogues of graphene: the BCN monolayers with visible-light absorption and high carrier mobility