CaPt2
CaPt2 is a stable, metallic intermetallic compound composed of calcium and platinum that functions as a catalyst material.
About CaPt2
CaPt2 is a metallic intermetallic compound belonging to the platinum-group alloy catalyst family. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity, making it a subject of significant interest for researchers investigating stable catalytic surfaces. Its metallic nature suggests high electrical conductivity, which is a critical attribute for electrochemical applications. The material is well-documented in structural databases, reflecting its importance in the study of transition metal alloys. It serves as a model system for understanding the interplay between alkaline-earth metals and platinum-group elements in catalytic environments.
Key Properties
Cross-validated computational properties for CaPt2, aggregated across 6 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 CaPt2 is used.
Frequently Asked Questions
Common questions about CaPt2, answered from cross-validated data.
What is CaPt2?
CaPt2 is a stable, metallic intermetallic compound composed of calcium and platinum that functions as a catalyst material.
What is CaPt2 used for?
What is the band gap of CaPt2?
Is CaPt2 a metal, semiconductor, or insulator?
Is CaPt2 thermodynamically stable?
How many polymorphs of CaPt2 are known?
What elements does CaPt2 contain?
Where does the data for CaPt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, CaPt2 distinguishes itself through its high thermodynamic stability compared to more complex or metastable compounds like As2Ir or Ga2Ru. While many members of this group, such as BaPd, are studied for their specific geometric arrangements, CaPt2 is notable for its well-defined structural profile, providing a reliable baseline for evaluating the catalytic activity of platinum-based intermetallics.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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