Li5AuO4

Li5AuO4 is a stable, semiconducting lithium oxide compound that serves as an important subject for structural and electronic materials research.

Crystal structure of Li5AuO4
Ground-state structure · Materials Project
Overview

About Li5AuO4

Li5AuO4 is a distinct member of the lithium oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within the chemical space of lithium-based ternary oxides.

This compound is of significant interest in materials science due to its structural diversity, with numerous reported configurations across major databases. Its stability and electronic properties make it a valuable subject for fundamental studies regarding gold-containing lithium oxides and their potential for specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Li5AuO4, aggregated across 3 databases.

Band Gap

1.88–2.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where Li5AuO4 is used.

Fundamental materials researchSolid-state chemistry studiesElectronic property investigation
Reference

Frequently Asked Questions

Common questions about Li5AuO4, answered from cross-validated data.

What is Li5AuO4?

Li5AuO4 is a stable, semiconducting lithium oxide compound that serves as an important subject for structural and electronic materials research.

More questions
What is Li5AuO4 used for?
Li5AuO4 is used in fundamental materials research, solid-state chemistry studies, and electronic property investigation.
What is the band gap of Li5AuO4?
Li5AuO4 has a DFT-computed band gap of 1.88–2.03 eV across 14 reported structures.
Is Li5AuO4 a metal, semiconductor, or insulator?
With a band gap up to 2.03 eV it is a semiconductor.
Is Li5AuO4 thermodynamically stable?
Yes — Li5AuO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li5AuO4 are known?
14 structures of Li5AuO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li5AuO4 contain?
Li5AuO4 contains Au, Li, and O (3 elements).
Where does the data for Li5AuO4 come from?
Li5AuO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are primarily valued for their electrochemical performance in batteries, Li5AuO4 occupies a more niche position within the lithium oxide class. While Li2O serves as a fundamental building block and Li4SiO4 is frequently studied for its ionic conductivity, Li5AuO4 stands out for its unique inclusion of gold, offering a different electronic profile compared to the transition-metal-heavy siblings like LiNiO2.

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Related Compounds

Other Lithium Oxides in the database.

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

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