Intermetallic materials are bestowed by diverse ordered superlattice structures together with
many unusual properties. In particular, the advent of chemically complex intermetallic alloys …

A fundamental precept of chemistry is that properties are manifestations of the elements
present and their arrangement in space. Controlling the arrangement of atoms in …

Measuring the similarity between two arbitrary crystal structures is a common challenge in
crystallography and materials science. Although there are an infinite number of ways to …

CASM is a software package that enables first-principles based studies of crystalline
materials. It has been designed to treat coupled chemical, mechanical, vibrational, and …

Lithium alloying reactions are beneficial in promoting uniform plating and stripping of lithium
metal in all-solid-state batteries. First-principles calculations are performed to predict …

Refractory multi-principal element alloys (RMPEAs) could provide next-generation high
temperature alloys, but their ductility and high temperature strength need significant …

The intermetallic SmCo 5 phase is well known for its unique magnetic properties, but so far,
research on the mechanical properties and the underlying lattice defects is comparably …

Continuous pathways that connect different crystal structures can play a crucial role in
determining the mechanisms with which structural phase transformations occur. The number …

A carbon–silver anode has recently been shown to suppress dendrite formation in all-solid-
state lithium-ion batteries. The role that silver plays in enabling the reversible deposition and …

The design guided by entropy enables the attainment of superior mechanical properties and
further extends the concept of high-entropy alloys to intermetallic systems, thus forming high …