Au1Zn2Zr1

Au1Zn2Zr1 is a semiconducting ternary intermetallic compound containing gold, zinc, and zirconium.

AuZnZr
Crystal structure of Au1Zn2Zr1
Ground-state structure · Materials Project
Overview

About Au1Zn2Zr1

Au1Zn2Zr1 is a complex ternary intermetallic compound composed of gold, zinc, and zirconium. As a semiconducting material, it represents an interesting niche in solid-state chemistry where the interplay of noble metal, transition metal, and post-transition metal elements creates unique electronic environments.

While this phase is identified as being above the thermodynamic hull, it remains a subject of interest for researchers studying structural diversity in multicomponent systems. Its existence across multiple reported structures highlights the complex phase space that these specific elemental combinations can occupy.

At a glance

Key Properties

Cross-validated computational properties for Au1Zn2Zr1, aggregated across 2 databases.

Band Gap

0.25 eV
Range across DFT structures

Energy Above Hull

2.249 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Uses

Applications

Where Au1Zn2Zr1 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Au1Zn2Zr1, answered from cross-validated data.

What is Au1Zn2Zr1?

Au1Zn2Zr1 is a semiconducting ternary intermetallic compound containing gold, zinc, and zirconium.

More questions
What is Au1Zn2Zr1 used for?
Au1Zn2Zr1 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Au1Zn2Zr1?
Au1Zn2Zr1 has a DFT-computed band gap of 0.25 eV across 26 reported structures.
Is Au1Zn2Zr1 a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is Au1Zn2Zr1 thermodynamically stable?
Au1Zn2Zr1 has a lowest energy above hull of 2.249 eV/atom (above hull).
How many polymorphs of Au1Zn2Zr1 are known?
26 structures of Au1Zn2Zr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au1Zn2Zr1 contain?
Au1Zn2Zr1 contains Au, Zn, and Zr (3 elements).
Where does the data for Au1Zn2Zr1 come from?
Au1Zn2Zr1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au1Zn2Zr1 serves as a distinct case study for how gold-zinc-zirconium interactions influence electronic behavior, standing as a specialized example within the broader landscape of complex intermetallic semiconductors.

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

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