Au2Rh1Y1

Au2Rh1Y1 is a semimetallic ternary alloy composed of gold, rhodium, and yttrium, primarily studied for its potential roles in advanced catalytic applications.

Crystal structure of Au2Rh1Y1
Ground-state structure · Materials Project
Overview

About Au2Rh1Y1

Au2Rh1Y1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its near-zero-gap semimetallic electronic structure, this material represents a specialized configuration of gold, rhodium, and yttrium atoms designed for catalytic research. Its structural complexity is evidenced by the numerous reported configurations found within materials science databases.

While its thermodynamic profile places it above the hull, suggesting potential instability under ambient conditions, it remains a subject of interest for understanding phase stability in ternary alloy systems. Its role is primarily centered on exploring the fundamental interactions between precious metals and rare-earth elements in catalytic environments.

At a glance

Key Properties

Cross-validated computational properties for Au2Rh1Y1, aggregated across 2 databases.

Band Gap

0.04 eV
Range across DFT structures

Energy Above Hull

2.438 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 12 space groups
Uses

Applications

Where Au2Rh1Y1 is used.

Catalytic researchIntermetallic materials developmentFundamental condensed matter physics studies
Reference

Frequently Asked Questions

Common questions about Au2Rh1Y1, answered from cross-validated data.

What is Au2Rh1Y1?

Au2Rh1Y1 is a semimetallic ternary alloy composed of gold, rhodium, and yttrium, primarily studied for its potential roles in advanced catalytic applications.

More questions
What is Au2Rh1Y1 used for?
Au2Rh1Y1 is used in catalytic research, intermetallic materials development, and fundamental condensed matter physics studies.
What is the band gap of Au2Rh1Y1?
Au2Rh1Y1 has a DFT-computed band gap of 0.04 eV across 27 reported structures.
Is Au2Rh1Y1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au2Rh1Y1 thermodynamically stable?
Au2Rh1Y1 has a lowest energy above hull of 2.438 eV/atom (above hull).
How many polymorphs of Au2Rh1Y1 are known?
27 structures of Au2Rh1Y1 are reported across 2 databases, spanning 12 distinct space groups.
What elements does Au2Rh1Y1 contain?
Au2Rh1Y1 contains Au, Rh, and Y (3 elements).
Where does the data for Au2Rh1Y1 come from?
Au2Rh1Y1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloy catalysts, Au2Rh1Y1 occupies a niche position compared to more stable, binary counterparts like LaRh or As2Pt. Unlike the more robust members of this class, its positioning above the hull highlights the challenges in synthesizing and maintaining ternary phases that incorporate both noble metals and yttrium, distinguishing it from the more commonly studied binary intermetallics.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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