Au1Cd1Pd2
Au1Cd1Pd2 is a thermodynamically stable, semiconducting intermetallic alloy composed of gold, cadmium, and palladium, primarily utilized in catalytic research.
About Au1Cd1Pd2
Au1Cd1Pd2 is a thermodynamically stable intermetallic compound within the platinum-group alloy catalyst class. Its distinct semiconducting electronic character differentiates it from many metallic counterparts, making it a subject of significant interest for specialized surface chemistry applications. The compound is well-represented in structural databases, reflecting its robust nature and potential for precise atomic arrangement in catalytic processes. By leveraging the synergistic effects of gold, cadmium, and palladium, this material provides a unique electronic environment that can be tuned for specific chemical transformations. Its stability on the convex hull suggests it is a durable candidate for long-term use in demanding catalytic environments where structural integrity is paramount.
Key Properties
Cross-validated computational properties for Au1Cd1Pd2, 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 Au1Cd1Pd2, 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 | 0.0000 | -3.936 | 12.99 |
| Immm (No. 71) | orthorhombic | 0.25 | 1.8883 | -2.047 | 0.96 |
| Cm (No. 8) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Au1Cd1Pd2 is used.
Frequently Asked Questions
Common questions about Au1Cd1Pd2, answered from cross-validated data.
What is Au1Cd1Pd2?
Au1Cd1Pd2 is a thermodynamically stable, semiconducting intermetallic alloy composed of gold, cadmium, and palladium, primarily utilized in catalytic research.
What is Au1Cd1Pd2 used for?
What is the band gap of Au1Cd1Pd2?
Is Au1Cd1Pd2 a metal, semiconductor, or insulator?
Is Au1Cd1Pd2 thermodynamically stable?
What is the crystal structure of Au1Cd1Pd2?
What is the density of Au1Cd1Pd2?
How many polymorphs of Au1Cd1Pd2 are known?
What elements does Au1Cd1Pd2 contain?
Where does the data for Au1Cd1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more common metallic platinum-group alloys such as BaPd or LaRh, Au1Cd1Pd2 exhibits a semiconducting electronic profile that sets it apart from the typically conductive behavior found in many other members of this class, including GeRu and Ga2Ru.
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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