Al5Rh2

Al5Rh2 is a stable intermetallic alloy of aluminum and rhodium used primarily in catalytic research.

Crystal structure of Al5Rh2 (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

About Al5Rh2

Al5Rh2 is a robust intermetallic compound belonging to the class of platinum-group alloy catalysts. As a metallic phase, it exhibits high structural integrity and is characterized by its position on the thermodynamic convex hull, indicating exceptional stability under standard conditions.

This material is of significant interest in catalysis research due to the synergistic interaction between aluminum and rhodium. Its stable crystalline architecture allows it to serve as a durable platform for chemical transformations, often outperforming pure elemental catalysts in specific industrial applications.

At a glance

Key Properties

Cross-validated computational properties for Al5Rh2, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
4 DFT sources

Structures

10
5 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al5Rh2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal0.000.0000-12.5115.35
P63/mmc (No. 194)
P63/mmc (No. 194)Hexagonal5.23
P63/mmc (No. 194)Hexagonal5.50
P63/mmc (No. 194)Hexagonal5.36
C2/m (No. 12)
C2/m (No. 12)Monoclinic3.83
C2/m (No. 12)Monoclinic7.48
C2/m (No. 12)Monoclinic5.60
Uses

Applications

Where Al5Rh2 is used.

Heterogeneous catalysisChemical synthesisSurface science research
Reference

Frequently Asked Questions

Common questions about Al5Rh2, answered from cross-validated data.

What is Al5Rh2?

Al5Rh2 is a stable intermetallic alloy of aluminum and rhodium used primarily in catalytic research.

More questions
What is Al5Rh2 used for?
Al5Rh2 is used in heterogeneous catalysis, chemical synthesis, and surface science research.
What is the band gap of Al5Rh2?
Al5Rh2 is computed to be metallic (no band gap) in the reported DFT structures.
Is Al5Rh2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al5Rh2 thermodynamically stable?
Yes — Al5Rh2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al5Rh2?
The lowest-energy reported polymorph of Al5Rh2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Al5Rh2?
The computed density of the ground-state structure of Al5Rh2 is 5.35 g/cm³.
How many polymorphs of Al5Rh2 are known?
10 structures of Al5Rh2 are reported across 5 databases, spanning 2 distinct space groups.
What elements does Al5Rh2 contain?
Al5Rh2 contains Al and Rh (2 elements).
Where does the data for Al5Rh2 come from?
Al5Rh2 data is cross-referenced from materials_project, jarvis, mpaloe, alexandria, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloy catalysts, Al5Rh2 distinguishes itself through its high thermodynamic stability compared to more volatile or reactive counterparts like BaPd or GeRu. While many members of this class are explored for their specific electronic band structures, Al5Rh2 remains a reliable metallic benchmark for structural consistency in catalytic studies.

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Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.
  • alexandria — Data from alexandria.
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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