LiAl2Au

LiAl2Au is a metastable, semimetallic ternary compound consisting of lithium, aluminum, and gold.

AlAuLi
Crystal structure of LiAl2Au
Ground-state structure · Materials Project
Overview

About LiAl2Au

LiAl2Au is a complex ternary intermetallic compound composed of lithium, aluminum, and gold. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between conductive metals and insulating semiconductors.

As a metastable phase, this compound represents a specific structural configuration that requires precise synthesis conditions to stabilize. Its existence within multiple structural databases highlights its role as a subject of interest for researchers investigating the interplay of light and heavy elements in electronic materials.

At a glance

Key Properties

Cross-validated computational properties for LiAl2Au, aggregated across 3 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.062 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where LiAl2Au is used.

Fundamental materials researchElectronic structure studiesAlloy development
Reference

Frequently Asked Questions

Common questions about LiAl2Au, answered from cross-validated data.

What is LiAl2Au?

LiAl2Au is a metastable, semimetallic ternary compound consisting of lithium, aluminum, and gold.

More questions
What is LiAl2Au used for?
LiAl2Au is used in fundamental materials research, electronic structure studies, and alloy development.
What is the band gap of LiAl2Au?
LiAl2Au has a DFT-computed band gap of 0.03 eV across 7 reported structures.
Is LiAl2Au a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiAl2Au thermodynamically stable?
LiAl2Au has a lowest energy above hull of 0.062 eV/atom (metastable).
How many polymorphs of LiAl2Au are known?
7 structures of LiAl2Au are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiAl2Au contain?
LiAl2Au contains Al, Au, and Li (3 elements).
Where does the data for LiAl2Au come from?
LiAl2Au data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary phase, LiAl2Au serves as a unique case study in the broader landscape of lithium-aluminum-gold intermetallics. Without direct structural siblings in this specific composition space, it stands as a specialized material for exploring how the inclusion of gold influences the electronic density of states in light-metal alloys.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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