Au2Pd1Y1
Au2Pd1Y1 is a semimetallic ternary alloy composed of gold, palladium, and yttrium that is studied for its unique properties in catalytic material research.
About Au2Pd1Y1
Au2Pd1Y1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by a semimetallic electronic structure, this material exhibits a near-zero-gap behavior that influences its potential interactions during catalytic processes. Its intricate composition involving gold, palladium, and yttrium places it within a specialized category of metallic alloys designed for surface-active applications. Due to its position above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis and long-term stability require careful control. Despite its structural complexity, it remains a subject of interest for researchers mapping the vast landscape of ternary alloys that could potentially serve as precursors or specialized components in high-performance catalytic systems.
Key Properties
Cross-validated computational properties for Au2Pd1Y1, 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 Au2Pd1Y1, 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 | 0.08 | 2.1178 | -34.823 | 0.91 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Au2Pd1Y1 is used.
Frequently Asked Questions
Common questions about Au2Pd1Y1, answered from cross-validated data.
What is Au2Pd1Y1?
Au2Pd1Y1 is a semimetallic ternary alloy composed of gold, palladium, and yttrium that is studied for its unique properties in catalytic material research.
What is Au2Pd1Y1 used for?
What is the band gap of Au2Pd1Y1?
Is Au2Pd1Y1 a metal, semiconductor, or insulator?
Is Au2Pd1Y1 thermodynamically stable?
What is the crystal structure of Au2Pd1Y1?
What is the density of Au2Pd1Y1?
How many polymorphs of Au2Pd1Y1 are known?
What elements does Au2Pd1Y1 contain?
Where does the data for Au2Pd1Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Compared to more common binary platinum-group systems like BaPd or GeRu, Au2Pd1Y1 represents a more complex ternary architecture. While many of its siblings in the platinum-group alloy class exhibit greater thermodynamic stability, this compound's unique combination of elements offers a distinct electronic profile that differentiates it from simpler structures like As2Pt or LaRh.
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).
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