Abstract The 2019 Nobel Prize in Chemistry and the 2016 Nobel Prize in Physics were
awarded for the research of lithium-ion batteries and topological quantum materials …

Carbon has numerous one-dimensional (1D), two-dimensional (2D), and three-dimensional
(3D) allotropic structures. The study of carbon materials has long been a major focus of …

A method is introduced to stochastically generate crystal structures with defined structural
characteristics. Reasonable quotient graphs for symmetric crystals are constructed using a …

Weyl points with monopole charge±1 have been extensively studied; however, real
materials of multi-Weyl points, whose monopole charges are higher than 1, have yet to be …

Here we report a method of finding multiple crystal structures similar to the known crystal
structures of materials on database through machine learning. The radial distribution …

Carbon materials with metallic properties are very worthy of research because they possess
electrical and thermal conductivity and huge application potential in the manufacturing of …

The germanosilicide Na4–x Ge y Si16–y (0.4≤ x≤ 1.1, 4.7≤ y≤ 9.3) was synthesized
under high-pressure, high-temperature conditions. The novel guest–host compound …

Abstract The sp 2–sp 3-hybridized carbon allotropes with the advantage of two hybrid
structures possess rich and fascinating electronic and mechanical properties and they have …

Abstract Ima2 C 32 with sp 2+ sp 3 hybridized network is proposed in this work, and the
structural properties, electronic properties, absorption spectra, elastic properties, elastic …

Carbon allotropes have a large family of materials with varieties of crystal structures and
properties and can realize different topological phases. Using first principles calculations …