Au1Ir1Zr2
Au1Ir1Zr2 is a semimetallic ternary alloy containing gold, iridium, and zirconium that is primarily investigated for its potential catalytic properties.
About Au1Ir1Zr2
Au1Ir1Zr2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, which influences its potential for specialized catalytic interactions in chemical processing.
While this material has been documented across multiple structural configurations, it remains thermodynamically metastable. Its position above the stability hull suggests that while it is a subject of significant academic interest, it requires specific synthesis conditions to maintain its phase integrity.
Key Properties
Cross-validated computational properties for Au1Ir1Zr2, 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.
Applications
Where Au1Ir1Zr2 is used.
Frequently Asked Questions
Common questions about Au1Ir1Zr2, answered from cross-validated data.
What is Au1Ir1Zr2?
Au1Ir1Zr2 is a semimetallic ternary alloy containing gold, iridium, and zirconium that is primarily investigated for its potential catalytic properties.
What is Au1Ir1Zr2 used for?
What is the band gap of Au1Ir1Zr2?
Is Au1Ir1Zr2 a metal, semiconductor, or insulator?
Is Au1Ir1Zr2 thermodynamically stable?
How many polymorphs of Au1Ir1Zr2 are known?
What elements does Au1Ir1Zr2 contain?
Where does the data for Au1Ir1Zr2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Au1Ir1Zr2 occupies a unique niche compared to more stable, binary counterparts like GeRu or LaRh. Unlike these more conventional intermetallics, its ternary composition and semimetallic nature distinguish it from the more robust, well-characterized members of the class such as As2Ir.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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