Cu1Hg1Pd2
Cu1Hg1Pd2 is a semiconducting ternary alloy of copper, mercury, and palladium investigated for its potential role in specialized catalytic applications.
About Cu1Hg1Pd2
Cu1Hg1Pd2 is a specialized ternary alloy composed of copper, mercury, and palladium. As a member of the platinum-group alloy catalyst class, it exhibits a semiconducting electronic character, distinguishing it from the purely metallic behavior often found in related noble metal systems. Its complex structural profile is evidenced by a significant number of reported configurations within materials databases. Although it is currently categorized as thermodynamically unstable relative to the ground state, its unique composition makes it a subject of interest for fundamental studies in solid-state chemistry and materials design. The interplay between the transition metals and mercury suggests potential for specialized catalytic pathways where electronic band structure plays a critical role in surface reactivity.
Key Properties
Cross-validated computational properties for Cu1Hg1Pd2, 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 Cu1Hg1Pd2, 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 | 0.23 | 1.8232 | -2.014 | 0.90 |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Cu1Hg1Pd2 is used.
Frequently Asked Questions
Common questions about Cu1Hg1Pd2, answered from cross-validated data.
What is Cu1Hg1Pd2?
Cu1Hg1Pd2 is a semiconducting ternary alloy of copper, mercury, and palladium investigated for its potential role in specialized catalytic applications.
What is Cu1Hg1Pd2 used for?
What is the band gap of Cu1Hg1Pd2?
Is Cu1Hg1Pd2 a metal, semiconductor, or insulator?
Is Cu1Hg1Pd2 thermodynamically stable?
What is the crystal structure of Cu1Hg1Pd2?
What is the density of Cu1Hg1Pd2?
How many polymorphs of Cu1Hg1Pd2 are known?
What elements does Cu1Hg1Pd2 contain?
Where does the data for Cu1Hg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Cu1Hg1Pd2 occupies a distinct niche compared to more conventional, highly stable intermetallics like As2Pt or GeRu. While many members of this class are characterized by their robust thermodynamic stability and metallic conductivity, Cu1Hg1Pd2 stands out due to its semiconducting nature and its position above the stability hull, marking it as a metastable phase that requires careful synthesis considerations compared to the more readily formed binary phases 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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