AuPd2Sn
AuPd2Sn is a semiconducting ternary intermetallic alloy composed of gold, palladium, and tin that is primarily of interest for its catalytic potential.
About AuPd2Sn
AuPd2Sn is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, it represents a complex ternary system that bridges the properties of gold, palladium, and tin in a single crystalline lattice. While it has been identified across multiple structural databases, the compound is noted for being thermodynamically metastable. Its existence above the hull suggests that while it can be synthesized, it occupies a high-energy state compared to its constituent elements.
Key Properties
Cross-validated computational properties for AuPd2Sn, 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 AuPd2Sn, 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 | 0.12 | 1.8339 | -28.869 | 1.01 |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 11.82 |
Applications
Where AuPd2Sn is used.
Frequently Asked Questions
Common questions about AuPd2Sn, answered from cross-validated data.
What is AuPd2Sn?
AuPd2Sn is a semiconducting ternary intermetallic alloy composed of gold, palladium, and tin that is primarily of interest for its catalytic potential.
What is AuPd2Sn used for?
What is the band gap of AuPd2Sn?
Is AuPd2Sn a metal, semiconductor, or insulator?
Is AuPd2Sn thermodynamically stable?
What is the crystal structure of AuPd2Sn?
What is the density of AuPd2Sn?
How many polymorphs of AuPd2Sn are known?
What elements does AuPd2Sn contain?
Where does the data for AuPd2Sn come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or common intermetallics in this class such as GeRu or BaPd, AuPd2Sn is distinguished by its ternary composition and its position as a metastable phase. While many platinum-group alloys like IrSe2 or As2Pt are studied for their robust catalytic surfaces, AuPd2Sn offers a unique electronic profile that necessitates careful synthesis and stabilization strategies due to its inherent thermodynamic instability.
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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