Superhard B₂₈N₃₂ with three-dimensional metallicity: First-principles prediction

Crystal Structure and Properties of Iodine Monofluoride Compounds at High Pressure

High-pressure Crystal Structure and Properties of BrCl

Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn^±1 (N = 2−12) Clusters DFT Study

A new carbon allotrope with C28 cage: T-C₆₄

Relativistic Effects Stabilize the Planar Wheel-like Structure of Actinides Doped Gold Clusters: An@Au₇ (An = Th to Cm)

Thermal Stability of Ag₁₃^- Clusters Studied by Ab Initio Molecular Dynamics Simulations

Tuning of Structure Evolution and Electronic Properties through Palladium-Doped Boron Clusters: PdB₁₆ as a Motif for Boron-Based Nanotubes

Structural Evolution and Electronic Properties of TaSi_n^-/0 (n = 2–15) Clusters: Size-Selected Anion Photoelectron Spectroscopy and Theoretical Calculations

Structure and Stability of Iron Fluoride at High Pressure–Temperature and Implication for a New Reservoir of Fluorine in the Deep Earth