Ca2PdZn
Ca2PdZn is a semimetallic ternary alloy containing calcium, palladium, and zinc that exists in a metastable state.
About Ca2PdZn
Ca2PdZn is a ternary intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior that distinguishes it from more traditional insulating or highly conductive catalytic substrates.
Despite its classification, the compound is found above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple structural databases highlights the complexity of its synthesis, making it a subject of interest for researchers investigating non-equilibrium catalytic materials.
Key Properties
Cross-validated computational properties for Ca2PdZn, 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.
Applications
Where Ca2PdZn is used.
Frequently Asked Questions
Common questions about Ca2PdZn, answered from cross-validated data.
What is Ca2PdZn?
Ca2PdZn is a semimetallic ternary alloy containing calcium, palladium, and zinc that exists in a metastable state.
What is Ca2PdZn used for?
What is the band gap of Ca2PdZn?
Is Ca2PdZn a metal, semiconductor, or insulator?
Is Ca2PdZn thermodynamically stable?
How many polymorphs of Ca2PdZn are known?
What elements does Ca2PdZn contain?
Where does the data for Ca2PdZn come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ca2PdZn occupies a unique niche compared to more stable, binary counterparts like BaPd or LaRh. While many of its siblings are optimized for robust industrial performance, this ternary phase represents a more exotic, metastable structural arrangement that challenges conventional stability trends observed in simpler alloys like GeRu or P3Ru.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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