AlRh3

AlRh3 is a metastable metallic intermetallic alloy composed of aluminum and rhodium that is studied for its role in platinum-group catalytic systems.

Crystal structure of AlRh3 (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

About AlRh3

AlRh3 is a metallic intermetallic compound composed of aluminum and rhodium. As a member of the platinum-group alloy catalyst class, it exhibits distinct structural characteristics that make it a subject of interest in materials research, despite its status as a metastable phase. The material is defined by its metallic electronic character, which influences its potential interactions in catalytic environments. Its structural complexity is highlighted by its presence across multiple databases, reflecting significant interest in its atomic arrangement. This compound serves as a model for understanding the stability and electronic behavior of transition metal-aluminide systems, providing insights into how rhodium-rich alloys can be engineered for specific chemical roles.

At a glance

Key Properties

Cross-validated computational properties for AlRh3, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.084 eV/atom
Best (lowest) across sources

Stability

Metastable
4 DFT sources

Structures

20
5 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AlRh3, 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)hexagonal0.000.0839-20.29010.17
P63/mmc (No. 194)Hexagonal10.16
Pmm2 (No. 25)Orthorhombic10.69
P63/mmc (No. 194)
9.86
Pmm2 (No. 25)Orthorhombic8.99
9.86
P-3m1 (No. 164)Trigonal8.91
P63/mmc (No. 194)Hexagonal9.85
C2/m (No. 12)
Pm-3m (No. 221)
P63/mmc (No. 194)Hexagonal8.75
Uses

Applications

Where AlRh3 is used.

Catalytic researchMaterials science studiesAlloy development
Reference

Frequently Asked Questions

Common questions about AlRh3, answered from cross-validated data.

What is AlRh3?

AlRh3 is a metastable metallic intermetallic alloy composed of aluminum and rhodium that is studied for its role in platinum-group catalytic systems.

More questions
What is AlRh3 used for?
AlRh3 is used in catalytic research, materials science studies, and alloy development.
What is the band gap of AlRh3?
AlRh3 is computed to be metallic (no band gap) in the reported DFT structures.
Is AlRh3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AlRh3 thermodynamically stable?
AlRh3 has a lowest energy above hull of 0.084 eV/atom (metastable).
What is the crystal structure of AlRh3?
The lowest-energy reported polymorph of AlRh3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of AlRh3?
The computed density of the ground-state structure of AlRh3 is 10.17 g/cm³.
How many polymorphs of AlRh3 are known?
20 structures of AlRh3 are reported across 5 databases, spanning 5 distinct space groups.
What elements does AlRh3 contain?
AlRh3 contains Al and Rh (2 elements).
Where does the data for AlRh3 come from?
AlRh3 data is cross-referenced from materials_project, mpaloe, jarvis, omat24, nomad.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloy catalysts, AlRh3 occupies a unique position as a metastable metallic phase. While compounds like LaRh or GeRu exhibit different bonding environments and thermodynamic profiles, AlRh3 is distinguished by its specific stoichiometry and the interplay between aluminum and rhodium atoms, which contrasts with the varied structural motifs found in siblings like As2Pt or IrSe2.

Explore

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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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