CaPd2
CaPd2 is a stable metallic alloy of calcium and palladium used in materials science research.
About CaPd2
CaPd2 is a metallic intermetallic compound composed of calcium and palladium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the platinum-group alloy family.
Its metallic nature and structural reliability make it an interesting subject for materials research. With numerous reported structural variations across multiple databases, it serves as a well-documented example of how alkaline earth metals can modify the properties of precious metal alloys.
Key Properties
Cross-validated computational properties for CaPd2, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CaPd2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where CaPd2 is used.
Frequently Asked Questions
Common questions about CaPd2, answered from cross-validated data.
What is CaPd2?
CaPd2 is a stable metallic alloy of calcium and palladium used in materials science research.
What is CaPd2 used for?
What is the band gap of CaPd2?
Is CaPd2 a metal, semiconductor, or insulator?
Is CaPd2 thermodynamically stable?
How many polymorphs of CaPd2 are known?
What elements does CaPd2 contain?
Where does the data for CaPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, CaPd2 stands out for its specific thermodynamic stability compared to more complex or less stable counterparts like As2Ir or Ga2Ru. While many members of this class are explored for their catalytic potential, CaPd2 is distinguished by its structural versatility and its role as a stable binary intermetallic, contrasting with the more varied stoichiometry seen in siblings like BaPd.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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