Prediction of a reservoir of N-rich high-energy density material at the Earth's mantle

An antiferromagnetic semiconducting FeCN₂ monolayer with a large magnetic anisotropy and strong magnetic coupling

Revisiting the potential-energy surface of C_nBe³ⁿ⁺²H_2n+2²⁺ (n = 2–4) clusters: are planar pentacoordinate carbon structures the global minima?

Pressure-induced superconductivity of Ac–B–H hydrides

Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure

A novel phase of superionic conductor β′-Na₃PS₄ with a large band gap and a low migration barrier

An antiferromagnetic semiconducting FeCN₂ monolayer with a large magnetic anisotropy and strong magnetic coupling

Pressure induced weakness of electrostatic interaction and solid decomposition in Cs-I compounds

Quantum anomalous Hall effect with a high and tunable Chern number in monolayer NdN₂

Exploration of AB₃Si₃ (A = Na/K/Rb/Cs) compounds under moderate pressure