LiMg2Au

LiMg2Au is a thermodynamically stable semiconducting intermetallic compound composed of lithium, magnesium, and gold.

AuLiMg
Crystal structure of LiMg2Au
Ground-state structure · Materials Project
Overview

About LiMg2Au

LiMg2Au is a distinct intermetallic compound that occupies a stable position on the thermodynamic convex hull. Its electronic character as a semiconductor distinguishes it from typical metallic alloys, suggesting potential for specialized electronic or optoelectronic applications where specific band structures are required. The material is characterized by a robust structural profile, supported by multiple reported entries across major materials databases. This stability makes it a reliable subject for fundamental studies into ternary lithium-based systems. As researchers continue to map the phase space of light-metal alloys, LiMg2Au serves as a key reference point for understanding how the integration of gold into a lithium-magnesium framework influences electronic behavior. Its predictable thermodynamic nature allows for consistent synthesis and characterization in experimental settings.

At a glance

Key Properties

Cross-validated computational properties for LiMg2Au, aggregated across 3 databases.

Band Gap

1.19 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where LiMg2Au is used.

Materials science researchSolid-state electronic component developmentFundamental phase stability studies
Reference

Frequently Asked Questions

Common questions about LiMg2Au, answered from cross-validated data.

What is LiMg2Au?

LiMg2Au is a thermodynamically stable semiconducting intermetallic compound composed of lithium, magnesium, and gold.

More questions
What is LiMg2Au used for?
LiMg2Au is used in materials science research, solid-state electronic component development, and fundamental phase stability studies.
What is the band gap of LiMg2Au?
LiMg2Au has a DFT-computed band gap of 1.19 eV across 6 reported structures.
Is LiMg2Au a metal, semiconductor, or insulator?
With a band gap up to 1.19 eV it is a semiconductor.
Is LiMg2Au thermodynamically stable?
Yes — LiMg2Au sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiMg2Au are known?
6 structures of LiMg2Au are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiMg2Au contain?
LiMg2Au contains Au, Li, and Mg (3 elements).
Where does the data for LiMg2Au come from?
LiMg2Au data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, LiMg2Au represents an important data point in the study of lithium-gold-magnesium systems. Unlike simpler binary alloys, this compound demonstrates how specific stoichiometry can stabilize a semiconducting state, providing a foundation for future exploration of more complex multinary materials within this compositional space.

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

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