Au2Rh1Y1
Au2Rh1Y1 is a semimetallic ternary alloy composed of gold, rhodium, and yttrium, primarily studied for its potential roles in advanced catalytic applications.
About Au2Rh1Y1
Au2Rh1Y1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its near-zero-gap semimetallic electronic structure, this material represents a specialized configuration of gold, rhodium, and yttrium atoms designed for catalytic research. Its structural complexity is evidenced by the numerous reported configurations found within materials science databases.
While its thermodynamic profile places it above the hull, suggesting potential instability under ambient conditions, it remains a subject of interest for understanding phase stability in ternary alloy systems. Its role is primarily centered on exploring the fundamental interactions between precious metals and rare-earth elements in catalytic environments.
Key Properties
Cross-validated computational properties for Au2Rh1Y1, aggregated across 2 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 Au2Rh1Y1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.04 | 2.4384 | -3.319 | 0.92 |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au2Rh1Y1 is used.
Frequently Asked Questions
Common questions about Au2Rh1Y1, answered from cross-validated data.
What is Au2Rh1Y1?
Au2Rh1Y1 is a semimetallic ternary alloy composed of gold, rhodium, and yttrium, primarily studied for its potential roles in advanced catalytic applications.
What is Au2Rh1Y1 used for?
What is the band gap of Au2Rh1Y1?
Is Au2Rh1Y1 a metal, semiconductor, or insulator?
Is Au2Rh1Y1 thermodynamically stable?
What is the crystal structure of Au2Rh1Y1?
What is the density of Au2Rh1Y1?
How many polymorphs of Au2Rh1Y1 are known?
What elements does Au2Rh1Y1 contain?
Where does the data for Au2Rh1Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Au2Rh1Y1 occupies a niche position compared to more stable, binary counterparts like LaRh or As2Pt. Unlike the more robust members of this class, its positioning above the hull highlights the challenges in synthesizing and maintaining ternary phases that incorporate both noble metals and yttrium, distinguishing it from the more commonly studied binary intermetallics.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Au2Rh1Y1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →