AuCuLi2

AuCuLi2 is a semiconducting ternary intermetallic compound consisting of gold, copper, and lithium.

AuCuLi
Crystal structure of AuCuLi2
Ground-state structure · Materials Project
Overview

About AuCuLi2

AuCuLi2 is a ternary intermetallic compound composed of gold, copper, and lithium. As a semiconducting material, it represents a unique intersection of noble metals and alkali chemistry, drawing interest for its distinct electronic behavior within the solid state. Given its position above the thermodynamic hull, this compound is considered metastable. It serves as a subject of fundamental research into how specific atomic arrangements influence electronic properties in multi-component metal systems.

At a glance

Key Properties

Cross-validated computational properties for AuCuLi2, aggregated across 4 databases.

Band Gap

2.10 eV
Range across DFT structures

Energy Above Hull

1.111 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

4
4 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about AuCuLi2, answered from cross-validated data.

What is AuCuLi2?

AuCuLi2 is a semiconducting ternary intermetallic compound consisting of gold, copper, and lithium.

More questions
What is the band gap of AuCuLi2?
AuCuLi2 has a DFT-computed band gap of 2.10 eV across 4 reported structures.
Is AuCuLi2 a metal, semiconductor, or insulator?
With a band gap up to 2.10 eV it is a semiconductor.
Is AuCuLi2 thermodynamically stable?
AuCuLi2 has a lowest energy above hull of 1.111 eV/atom (above hull).
How many polymorphs of AuCuLi2 are known?
4 structures of AuCuLi2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does AuCuLi2 contain?
AuCuLi2 contains Au, Cu, and Li (3 elements).
Where does the data for AuCuLi2 come from?
AuCuLi2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, AuCuLi2 occupies a specialized niche in materials science where the combination of heavy noble metals and light alkali elements creates complex structural landscapes. Unlike more common binary alloys, this compound demonstrates the challenges of stabilizing specific stoichiometry in systems where thermodynamic competition is high.

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

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