HfIr3

HfIr3 is a thermodynamically stable metallic alloy composed of hafnium and iridium, primarily utilized in advanced catalytic applications.

Crystal structure of HfIr3
Ground-state structure · Materials Project
Overview

About HfIr3

HfIr3 is a metallic intermetallic compound belonging to the platinum-group alloy catalyst family. Its thermodynamic stability on the convex hull makes it a robust candidate for applications requiring structural integrity under demanding conditions. The material exhibits characteristic metallic conductivity, typical of its class, which is essential for efficient charge transfer in catalytic processes. Due to its high structural diversity, it remains a subject of significant interest in materials science research. This compound is primarily utilized in advanced catalysis, where the synergy between hafnium and iridium provides unique surface reactivity. Its stable crystalline framework allows it to maintain performance in environments where other metallic phases might degrade. By leveraging the properties of platinum-group elements, HfIr3 serves as a specialized component in high-performance chemical synthesis and electrochemical systems.

At a glance

Key Properties

Cross-validated computational properties for HfIr3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

59
4 databases, 13 space groups
Uses

Applications

Where HfIr3 is used.

Advanced chemical catalysisElectrochemical systemsMaterials science research
Reference

Frequently Asked Questions

Common questions about HfIr3, answered from cross-validated data.

What is HfIr3?

HfIr3 is a thermodynamically stable metallic alloy composed of hafnium and iridium, primarily utilized in advanced catalytic applications.

More questions
What is HfIr3 used for?
HfIr3 is used in advanced chemical catalysis, electrochemical systems, and materials science research.
What is the band gap of HfIr3?
HfIr3 is computed to be metallic (no band gap) in the reported DFT structures.
Is HfIr3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfIr3 thermodynamically stable?
Yes — HfIr3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HfIr3 are known?
59 structures of HfIr3 are reported across 4 databases, spanning 13 distinct space groups.
What elements does HfIr3 contain?
HfIr3 contains Hf and Ir (2 elements).
Where does the data for HfIr3 come from?
HfIr3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloys, HfIr3 stands out for its thermodynamic stability compared to more complex phases like As2Ir or Ga2Ru. While many members of this class are explored for their specific electronic tuning, HfIr3 provides a reliably stable metallic platform that contrasts with the varied stoichiometric complexity seen in compounds such as GeRu or BaPd.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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