Au2Zn1Zr1

Au2Zn1Zr1 is a thermodynamically stable, semiconducting ternary intermetallic compound containing gold, zinc, and zirconium.

AuZnZr
Crystal structure of Au2Zn1Zr1
Ground-state structure · Materials Project
Overview

About Au2Zn1Zr1

Au2Zn1Zr1 is a distinct intermetallic compound composed of gold, zinc, and zirconium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-supported by computational data models.

This material exhibits semiconducting electronic character, making it an intriguing candidate for specialized electronic and optoelectronic research. Its inclusion in structural databases highlights its significance as a stable building block for complex ternary alloy systems.

At a glance

Key Properties

Cross-validated computational properties for Au2Zn1Zr1, aggregated across 2 databases.

Band Gap

0.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 15 space groups
Uses

Applications

Where Au2Zn1Zr1 is used.

Semiconductor researchIntermetallic alloy developmentMaterials science characterization
Reference

Frequently Asked Questions

Common questions about Au2Zn1Zr1, answered from cross-validated data.

What is Au2Zn1Zr1?

Au2Zn1Zr1 is a thermodynamically stable, semiconducting ternary intermetallic compound containing gold, zinc, and zirconium.

More questions
What is Au2Zn1Zr1 used for?
Au2Zn1Zr1 is used in semiconductor research, intermetallic alloy development, and materials science characterization.
What is the band gap of Au2Zn1Zr1?
Au2Zn1Zr1 has a DFT-computed band gap of 0.70 eV across 27 reported structures.
Is Au2Zn1Zr1 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is Au2Zn1Zr1 thermodynamically stable?
Yes — Au2Zn1Zr1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Au2Zn1Zr1 are known?
27 structures of Au2Zn1Zr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au2Zn1Zr1 contain?
Au2Zn1Zr1 contains Au, Zn, and Zr (3 elements).
Where does the data for Au2Zn1Zr1 come from?
Au2Zn1Zr1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Au2Zn1Zr1 occupies a specialized niche in materials science. Unlike simpler binary alloys, its specific stoichiometry allows for a stable configuration that serves as a foundational reference point for future studies into gold-based ternary systems.

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

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