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

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.
Key Properties
Cross-validated computational properties for AlRh3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for AlRh3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0839 | -20.290 | 10.17 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 10.16 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 10.69 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 9.86 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 8.99 |
| — | — | — | — | — | 9.86 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.91 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.85 |
| C2/m (No. 12) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 8.75 |
Applications
Where AlRh3 is used.
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.
What is AlRh3 used for?
What is the band gap of AlRh3?
Is AlRh3 a metal, semiconductor, or insulator?
Is AlRh3 thermodynamically stable?
What is the crystal structure of AlRh3?
What is the density of AlRh3?
How many polymorphs of AlRh3 are known?
What elements does AlRh3 contain?
Where does the data for AlRh3 come from?
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.
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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