PRu2
PRu2 is a thermodynamically stable, metallic platinum-group alloy catalyst frequently studied for its structural reliability and potential in catalytic applications.
About PRu2
PRu2 is a robust member of the platinum-group alloy catalyst family, characterized by its metallic electronic nature and inherent thermodynamic stability. As a compound residing on the convex hull, it represents a highly favorable structural configuration that is of significant interest for catalytic research and materials development.
This material benefits from extensive characterization, with numerous reported structures across major databases, underscoring its importance in the study of transition metal phosphides. Its metallic behavior makes it a compelling candidate for applications requiring efficient charge transport in catalytic environments.
Key Properties
Cross-validated computational properties for PRu2, aggregated across 4 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 PRu2. 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 PRu2 is used.
Frequently Asked Questions
Common questions about PRu2, answered from cross-validated data.
What is PRu2?
PRu2 is a thermodynamically stable, metallic platinum-group alloy catalyst frequently studied for its structural reliability and potential in catalytic applications.
What is PRu2 used for?
What is the band gap of PRu2?
Is PRu2 a metal, semiconductor, or insulator?
Is PRu2 thermodynamically stable?
How many polymorphs of PRu2 are known?
What elements does PRu2 contain?
Where does the data for PRu2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, PRu2 stands out for its structural stability compared to more complex or less ordered siblings like P3Ru. While many related compounds such as Ga2Ru or GeRu exhibit varying degrees of metallic character, PRu2 is distinguished by its well-defined position on the convex hull, marking it as a particularly reliable reference point for benchmarking catalytic performance in this class.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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