AuBiPd2
AuBiPd2 is a semiconducting ternary alloy composed of gold, bismuth, and palladium, investigated for its potential in catalytic applications.
About AuBiPd2
AuBiPd2 is a ternary platinum-group alloy characterized by its semiconducting electronic structure. As a near-hull stable phase, it represents a promising candidate for experimental synthesis and investigation within the broader field of transition metal catalysis. Its unique composition of gold, bismuth, and palladium offers a distinct electronic environment that differentiates it from simpler binary alloys.
The material is significant for researchers exploring complex intermetallic compounds for catalytic processes. Given its position near the thermodynamic hull, it is considered a viable target for laboratory production, providing a platform to study how heavy elements like bismuth influence the catalytic activity of noble metal frameworks.
Key Properties
Cross-validated computational properties for AuBiPd2, 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 AuBiPd2, 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 | 0.0243 | -38.942 | 14.08 |
| Immm (No. 71) | orthorhombic | 0.40 | 1.7506 | -37.215 | 1.09 |
| — | — | — | — | — | — |
| — | — | — | — | — | 13.72 |
| — | — | — | — | — | 13.72 |
Applications
Where AuBiPd2 is used.
Frequently Asked Questions
Common questions about AuBiPd2, answered from cross-validated data.
What is AuBiPd2?
AuBiPd2 is a semiconducting ternary alloy composed of gold, bismuth, and palladium, investigated for its potential in catalytic applications.
What is AuBiPd2 used for?
What is the band gap of AuBiPd2?
Is AuBiPd2 a metal, semiconductor, or insulator?
Is AuBiPd2 thermodynamically stable?
What is the crystal structure of AuBiPd2?
What is the density of AuBiPd2?
How many polymorphs of AuBiPd2 are known?
What elements does AuBiPd2 contain?
Where does the data for AuBiPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, AuBiPd2 occupies a specialized niche compared to simpler binary systems like BaPd or GeRu. While many members of this class are metallic, the semiconducting nature of AuBiPd2 sets it apart, offering a different electronic landscape for surface reactions than the more conventional metallic conductors found in the group.
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).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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