Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

Electrides are materials in which electrons serve as anions. Here, the concept of inorganic
electrides is extended in several respects: from ionic crystals to intermetallic compounds in …

Electrides are a unique class of electron-rich materials where excess electrons are localized
in interstitial lattice sites as anions, leading to a range of unique properties and applications …

Conventional MAX phases (M is an early transition metal, A represents a p-block element or
Cd, and X is carbon or nitrogen) have so far been limited to carbides and/or nitrides. In the …

This study combines machine learning (ML) and high-throughput calculations to uncover
new ternary electrides in the A 2 BC 2 family of compounds with the P 4/mbm space group …

The development of efficient thermal energy management devices such as thermoelectrics
and barrier coatings often relies on compounds having low lattice thermal conductivity (κ l) …

In this work, we report the synthesis of a room-temperature-stable electride (RoSE) reagent,
namely K+(LiHMDS) e−(1)(HMDS: 1, 1, 1, 3, 3, 3-hexamethyldisilazide), from accessible …

In a two-dimensional (2D) Kagome lattice, the ideal Kagome bands including Dirac cones,
van Hove singularities, and a flat band are highly expected, because they can provide a …

Electrides are unique compounds where most of the electrons reside at interstitial regions of
the crystal behaving as anions, which strongly determines its physical properties …

Electrides are systems in which an electron is not bound to an atom and plays an active role
in the materials structure. We present concise summaries of the different types of electride in …