AuLa2Ru
AuLa2Ru is a metastable, semimetallic intermetallic alloy containing gold, lanthanum, and ruthenium that is studied for its unique electronic properties in catalytic applications.
About AuLa2Ru
AuLa2Ru is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that distinguishes its charge transport properties from typical metallic catalysts.
As a metastable phase, this compound represents a unique structural configuration within the broader landscape of ruthenium-based alloys. Its existence in multiple reported structures suggests a complex formation landscape, making it a subject of interest for researchers investigating the stability and catalytic potential of rare-earth transition metal systems.
Key Properties
Cross-validated computational properties for AuLa2Ru, aggregated across 3 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 AuLa2Ru, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0614 | -6.056 | 9.65 |
| Immm (No. 71) | orthorhombic | 0.05 | 1.8732 | -4.244 | 1.12 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 8.55 |
| — | — | — | — | — | 8.61 |
| — | — | — | — | — | 9.73 |
| — | — | — | — | — | 10.80 |
| — | — | — | — | — | 9.73 |
| — | — | — | — | — | 9.65 |
| — | — | — | — | — | 9.65 |
Applications
Where AuLa2Ru is used.
Frequently Asked Questions
Common questions about AuLa2Ru, answered from cross-validated data.
What is AuLa2Ru?
AuLa2Ru is a metastable, semimetallic intermetallic alloy containing gold, lanthanum, and ruthenium that is studied for its unique electronic properties in catalytic applications.
What is AuLa2Ru used for?
What is the band gap of AuLa2Ru?
Is AuLa2Ru a metal, semiconductor, or insulator?
Is AuLa2Ru thermodynamically stable?
What is the crystal structure of AuLa2Ru?
What is the density of AuLa2Ru?
How many polymorphs of AuLa2Ru are known?
What elements does AuLa2Ru contain?
Where does the data for AuLa2Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, AuLa2Ru occupies a distinct niche compared to more conventional binary systems like LaRh or GeRu. While many of its siblings exhibit stable, well-defined crystalline lattices, AuLa2Ru is notable for its metastable nature, offering a different pathway for surface reactivity and electronic tuning compared to the more thermodynamically robust members of the class.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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