Cr3Ir

Cr3Ir is a metallic intermetallic compound containing chromium and iridium that serves as a subject for research into the structural properties of platinum-group alloys.

Crystal structure of Cr3Ir
Ground-state structure · Materials Project
Overview

About Cr3Ir

Cr3Ir is a metallic intermetallic compound composed of chromium and iridium. As a member of the platinum-group alloy catalyst class, it exhibits typical metallic electronic behavior characterized by the absence of a band gap, making it an interesting subject for studies on electron transport and catalytic surface interactions.

Despite its classification, this material is noted for being thermodynamically metastable, residing above the energy hull. Its structural landscape is remarkably well-documented, with numerous reported configurations across major materials databases, highlighting its significance in fundamental research regarding phase stability and alloy formation.

At a glance

Key Properties

Cross-validated computational properties for Cr3Ir, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.227 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

40
4 databases, 10 space groups
Uses

Applications

Where Cr3Ir is used.

Fundamental materials researchCatalysis studiesAlloy phase stability investigation
Reference

Frequently Asked Questions

Common questions about Cr3Ir, answered from cross-validated data.

What is Cr3Ir?

Cr3Ir is a metallic intermetallic compound containing chromium and iridium that serves as a subject for research into the structural properties of platinum-group alloys.

More questions
What is Cr3Ir used for?
Cr3Ir is used in fundamental materials research, catalysis studies, and alloy phase stability investigation.
What is the band gap of Cr3Ir?
Cr3Ir is computed to be metallic (no band gap) in the reported DFT structures.
Is Cr3Ir a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cr3Ir thermodynamically stable?
Cr3Ir has a lowest energy above hull of 0.227 eV/atom (above hull).
How many polymorphs of Cr3Ir are known?
40 structures of Cr3Ir are reported across 4 databases, spanning 10 distinct space groups.
What elements does Cr3Ir contain?
Cr3Ir contains Cr and Ir (2 elements).
Where does the data for Cr3Ir come from?
Cr3Ir 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, Cr3Ir shares a metallic nature with compounds like BaPd and LaRh, yet it is distinguished by its specific stoichiometry and metastable status. Unlike more stable members of the class, such as the various ruthenium-based intermetallics like GeRu or Ga2Ru, Cr3Ir represents a more complex structural challenge due to its position relative to the ground state, placing it in a unique category of experimental interest compared to the more robust binary phases.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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