Al3Ir

Al3Ir is a stable, metallic intermetallic alloy composed of aluminum and iridium that is frequently studied for its structural properties in catalysis.

Crystal structure of Al3Ir
Ground-state structure · Materials Project
Overview

About Al3Ir

Al3Ir is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of aluminum and iridium atoms that is highly favored in the solid state.

This material is characterized by its distinct lack of a band gap, confirming its metallic electronic nature. With dozens of reported structures across major databases, it serves as a significant reference point for researchers investigating the interplay between noble metals and light elements in catalytic applications.

At a glance

Key Properties

Cross-validated computational properties for Al3Ir, 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

34
4 databases, 12 space groups
Uses

Applications

Where Al3Ir is used.

Catalysis researchIntermetallic structural studiesMaterials science benchmarking
Reference

Frequently Asked Questions

Common questions about Al3Ir, answered from cross-validated data.

What is Al3Ir?

Al3Ir is a stable, metallic intermetallic alloy composed of aluminum and iridium that is frequently studied for its structural properties in catalysis.

More questions
What is Al3Ir used for?
Al3Ir is used in catalysis research, intermetallic structural studies, and materials science benchmarking.
What is the band gap of Al3Ir?
Al3Ir is computed to be metallic (no band gap) in the reported DFT structures.
Is Al3Ir a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3Ir thermodynamically stable?
Yes — Al3Ir sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al3Ir are known?
34 structures of Al3Ir are reported across 4 databases, spanning 12 distinct space groups.
What elements does Al3Ir contain?
Al3Ir contains Al and Ir (2 elements).
Where does the data for Al3Ir come from?
Al3Ir 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, Al3Ir stands out for its high thermodynamic stability compared to more complex or metastable variants like As2Ir or Ga2Ru. While many members of this class are explored for their specific surface reactivity, Al3Ir is distinguished by its structural prevalence and well-documented stability profile, making it a reliable benchmark for studying intermetallic bonding behavior.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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