CuPdZn2
CuPdZn2 is a ternary semiconducting alloy containing copper, palladium, and zinc that is primarily studied for its structural characteristics within the platinum-group metal family.
About CuPdZn2
CuPdZn2 is a ternary intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by semiconducting electronic properties, it represents a specialized composition within the broader landscape of transition metal alloys.
While this material has been documented across multiple structural databases, its thermodynamic profile suggests it sits above the stability hull. This positioning makes it a subject of interest for researchers studying metastable phases and the fundamental behavior of complex metallic systems.
Key Properties
Cross-validated computational properties for CuPdZn2, 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 CuPdZn2, 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 | 0.11 | 1.5964 | -1.687 | 0.77 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 8.81 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where CuPdZn2 is used.
Frequently Asked Questions
Common questions about CuPdZn2, answered from cross-validated data.
What is CuPdZn2?
CuPdZn2 is a ternary semiconducting alloy containing copper, palladium, and zinc that is primarily studied for its structural characteristics within the platinum-group metal family.
What is CuPdZn2 used for?
What is the band gap of CuPdZn2?
Is CuPdZn2 a metal, semiconductor, or insulator?
Is CuPdZn2 thermodynamically stable?
What is the crystal structure of CuPdZn2?
What is the density of CuPdZn2?
How many polymorphs of CuPdZn2 are known?
What elements does CuPdZn2 contain?
Where does the data for CuPdZn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable binary members of the platinum-group alloy class such as BaPd or LaRh, CuPdZn2 exists as a complex ternary phase. Its structural configuration and electronic behavior distinguish it from simpler, highly stable compounds like As2Pt or IrSe2, highlighting the diverse compositional possibilities within this class of catalytic materials.
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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