Al3Ru
Al3Ru is a metallic aluminum-ruthenium intermetallic compound studied primarily for its structural properties within the field of platinum-group alloy catalysts.
About Al3Ru
Al3Ru is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. Its electronic structure is characterized by a lack of a band gap, consistent with its metallic nature, which is a defining feature for materials intended for catalytic surface interactions. Despite its thermodynamic status above the convex hull, indicating potential instability under standard conditions, the compound remains a subject of significant interest in materials informatics. The high number of reported structures across multiple databases highlights its complexity and the ongoing research into its phase behavior.
Key Properties
Cross-validated computational properties for Al3Ru, 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 Al3Ru, 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 | 0.1770 | -11.839 | 5.24 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.08 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.24 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.36 |
| — | — | — | — | — | 2.87 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.08 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.17 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.16 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.50 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
Applications
Where Al3Ru is used.
Frequently Asked Questions
Common questions about Al3Ru, answered from cross-validated data.
What is Al3Ru?
Al3Ru is a metallic aluminum-ruthenium intermetallic compound studied primarily for its structural properties within the field of platinum-group alloy catalysts.
What is Al3Ru used for?
What is the band gap of Al3Ru?
Is Al3Ru a metal, semiconductor, or insulator?
Is Al3Ru thermodynamically stable?
What is the crystal structure of Al3Ru?
What is the density of Al3Ru?
How many polymorphs of Al3Ru are known?
What elements does Al3Ru contain?
Where does the data for Al3Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Al3Ru represents a distinct aluminum-rich phase compared to more stable or common siblings like GeRu or Ga2Ru. While many members of this class are investigated for their robust catalytic properties, Al3Ru is notable for its structural diversity, appearing frequently in computational datasets despite its metastable character relative to other binary combinations like As2Ir 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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