LiAuS

LiAuS is a stable, semiconducting ternary compound consisting of lithium, gold, and sulfur.

AuLiS
Crystal structure of LiAuS
Ground-state structure · Materials Project
Overview

About LiAuS

LiAuS is a distinct ternary compound composed of lithium, gold, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental solid-state research.

The electronic character of LiAuS is defined as semiconducting, positioning it as a candidate for specialized electronic or optoelectronic applications. Its structural integrity and chemical composition make it a noteworthy subject for those investigating the interplay between noble metals and chalcogenides in stable crystalline lattices.

At a glance

Key Properties

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

Band Gap

1.58 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

8
3 databases, 5 space groups
Uses

Applications

Where LiAuS is used.

Solid-state electronic researchFundamental materials science studies
Reference

Frequently Asked Questions

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

What is LiAuS?

LiAuS is a stable, semiconducting ternary compound consisting of lithium, gold, and sulfur.

More questions
What is LiAuS used for?
LiAuS is used in solid-state electronic research and fundamental materials science studies.
What is the band gap of LiAuS?
LiAuS has a DFT-computed band gap of 1.58 eV across 8 reported structures.
Is LiAuS a metal, semiconductor, or insulator?
With a band gap up to 1.58 eV it is a semiconductor.
Is LiAuS thermodynamically stable?
Yes — LiAuS sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiAuS are known?
8 structures of LiAuS are reported across 3 databases, spanning 5 distinct space groups.
What elements does LiAuS contain?
LiAuS contains Au, Li, and S (3 elements).
Where does the data for LiAuS come from?
LiAuS data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary chalcogenide, LiAuS occupies a specialized niche in materials science. Unlike more common binary sulfides, its inclusion of gold provides a distinct electronic profile, allowing it to serve as a foundational reference point for exploring the stability and semiconducting behavior of complex lithium-gold-sulfur systems.

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

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