Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Crystal Structures and Physicochemical Properties of Be₂N and Mg₂N as Electride Materials

The local structure and electronic properties of Ho³⁺-doped BaY₂F₈: A first-principles method

Computational prediction of stable semiconducting Zn-C binary compounds

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Two Ultrahigh-Energy-Density Layered Cerium Polynitrides with Molecular Sieve Channel

Structural evolution and electronic properties of doped boron clusters Ta₂B_n (n = 10 ∼ 20): Ta₂B₁₆ and Ta₂B₁₈ with strong aromaticity

Prediction of a three-dimensional carbon allotrope moC₁₂ with one-dimensional metallicity, superconductivity and mechanical anisotropy

A pressure-induced high-pressure metallic GeTe phase

The identification of high-pressure phase transition sequence in selected tungstates and molybdates