Au2LiSi

Au2LiSi is a semiconducting ternary compound composed of gold, lithium, and silicon that is currently being investigated for its metastable structural properties.

AuLiSi
Crystal structure of Au2LiSi
Ground-state structure · Materials Project
Overview

About Au2LiSi

Au2LiSi is a ternary compound that integrates gold, lithium, and silicon into a semiconducting framework. Its electronic character suggests potential for specialized optoelectronic or sensor applications, though its current status as a metastable phase makes it a subject of fundamental materials research.

Because it exists above the thermodynamic hull, Au2LiSi represents a challenging synthetic target. Understanding its structural evolution across multiple databases provides insights into the complex bonding interactions between noble metals, alkali metals, and semiconductors.

At a glance

Key Properties

Cross-validated computational properties for Au2LiSi, aggregated across 3 databases.

Band Gap

0.13 eV
Range across DFT structures

Energy Above Hull

1.408 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Au2LiSi is used.

Fundamental materials researchSemiconductor physics studiesExploratory synthesis of ternary alloys
Reference

Frequently Asked Questions

Common questions about Au2LiSi, answered from cross-validated data.

What is Au2LiSi?

Au2LiSi is a semiconducting ternary compound composed of gold, lithium, and silicon that is currently being investigated for its metastable structural properties.

More questions
What is Au2LiSi used for?
Au2LiSi is used in fundamental materials research, semiconductor physics studies, and exploratory synthesis of ternary alloys.
What is the band gap of Au2LiSi?
Au2LiSi has a DFT-computed band gap of 0.13 eV across 3 reported structures.
Is Au2LiSi a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is Au2LiSi thermodynamically stable?
Au2LiSi has a lowest energy above hull of 1.408 eV/atom (above hull).
How many polymorphs of Au2LiSi are known?
3 structures of Au2LiSi are reported across 3 databases, spanning 2 distinct space groups.
What elements does Au2LiSi contain?
Au2LiSi contains Au, Li, and Si (3 elements).
Where does the data for Au2LiSi come from?
Au2LiSi data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au2LiSi occupies a specialized niche within materials science, serving as a model for investigating the interplay of gold and lithium in silicon-based systems where traditional binary or elemental semiconductors are insufficient.

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

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