Al3Ru2
Al3Ru2 is a stable metallic alloy composed of aluminum and ruthenium that is studied for its role in catalytic material science.
About Al3Ru2
Al3Ru2 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 exhibits robust structural integrity, making it a subject of significant interest for fundamental materials research. Its electronic character is defined by its metallic nature, lacking a band gap, which influences its behavior in catalytic environments. The compound is well-documented in structural databases, reflecting its importance in the study of transition metal aluminides. It serves as a model system for understanding the interplay between aluminum and ruthenium in alloy formation and catalytic activity.
Key Properties
Cross-validated computational properties for Al3Ru2, 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 Al3Ru2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -14.984 | 6.95 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2424 | -14.742 | 5.99 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.15 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.60 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.23 |
| P1 (No. 1) | Triclinic | — | — | — | 5.60 |
| — | — | — | — | — | 6.81 |
Applications
Where Al3Ru2 is used.
Frequently Asked Questions
Common questions about Al3Ru2, answered from cross-validated data.
What is Al3Ru2?
Al3Ru2 is a stable metallic alloy composed of aluminum and ruthenium that is studied for its role in catalytic material science.
What is Al3Ru2 used for?
What is the band gap of Al3Ru2?
Is Al3Ru2 a metal, semiconductor, or insulator?
Is Al3Ru2 thermodynamically stable?
What is the crystal structure of Al3Ru2?
What is the density of Al3Ru2?
How many polymorphs of Al3Ru2 are known?
What elements does Al3Ru2 contain?
Where does the data for Al3Ru2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloy catalysts, Al3Ru2 distinguishes itself through its specific stoichiometry and high thermodynamic stability compared to other members like Ga2Ru or GeRu. While many alloys in this class are explored for their unique electronic configurations, Al3Ru2 provides a stable metallic framework that contrasts with the varied structural properties found in compounds such as As2Pt or BaPd.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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