AlRu
AlRu is a stable, metallic intermetallic compound composed of aluminum and ruthenium that serves as a key material in platinum-group alloy research.
About AlRu
AlRu is a metallic intermetallic compound belonging to the platinum-group alloy catalyst class. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a robust candidate for materials science investigations where structural integrity is paramount. The compound is supported by an extensive body of structural data, reflecting its significance in fundamental alloy research.
As a metallic material, AlRu leverages the unique electronic properties of ruthenium to facilitate surface reactions. Its stability and well-characterized structural landscape allow researchers to utilize it as a model system for understanding how aluminum-ruthenium interactions influence catalytic performance in demanding chemical environments.
Key Properties
Cross-validated computational properties for AlRu, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlRu. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AlRu, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.647 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -16.807 | 8.01 |
| — | — | 0.00 | 0.0000 | -0.663 | — |
| — | — | 0.00 | 0.0000 | -0.663 | — |
| — | — | 0.00 | 0.0002 | -0.663 | — |
| — | — | 0.00 | 0.0006 | -0.662 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1556 | -0.491 | — |
| — | — | 0.00 | 0.1755 | -0.487 | — |
| — | — | 0.00 | 0.2877 | -0.375 | — |
| — | — | 0.00 | 0.4031 | -0.260 | — |
| — | — | 0.00 | 0.4054 | -0.257 | — |
| — | — | 0.00 | 0.4207 | -0.242 | — |
Applications
Where AlRu is used.
Patent Landscape
1 patent reference AlRu or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7767139 | AlRu sputtering target and manufacturing method thereof | — | — |
Frequently Asked Questions
Common questions about AlRu, answered from cross-validated data.
What is AlRu?
AlRu is a stable, metallic intermetallic compound composed of aluminum and ruthenium that serves as a key material in platinum-group alloy research.
What is AlRu used for?
What is the band gap of AlRu?
Is AlRu a metal, semiconductor, or insulator?
Is AlRu thermodynamically stable?
What is the crystal structure of AlRu?
How many polymorphs of AlRu are known?
What elements does AlRu contain?
Where does the data for AlRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, AlRu distinguishes itself through its high thermodynamic stability compared to more complex or metastable siblings like Ga2Ru or GeRu. While many members of this class are explored for their specific stoichiometry and bonding arrangements, AlRu represents a foundational binary system that provides a clear baseline for studying the catalytic behavior of ruthenium-based intermetallics.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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