BaPPd
BaPPd is a thermodynamically stable, semiconducting ternary alloy containing barium, phosphorus, and palladium.

About BaPPd
BaPPd is a thermodynamically stable semiconducting compound within the platinum-group alloy catalyst class. Its position on the convex hull indicates a robust structural integrity that makes it a subject of interest for researchers investigating stable, non-metallic catalytic materials. The compound is characterized by a distinct electronic structure that bridges the gap between traditional metallic catalysts and insulating support materials.
This material is part of a growing body of research into complex ternary phosphides and palladium-based alloys. Its stability and semiconducting nature suggest potential utility in specialized chemical synthesis or electronic applications where precise control over charge carrier density is required. With multiple reported structures, it represents a versatile platform for studying structure-property relationships in advanced inorganic materials.
Key Properties
Cross-validated computational properties for BaPPd, 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 BaPPd is used.
Frequently Asked Questions
Common questions about BaPPd, answered from cross-validated data.
What is BaPPd?
BaPPd is a thermodynamically stable, semiconducting ternary alloy containing barium, phosphorus, and palladium.
What is BaPPd used for?
What is the band gap of BaPPd?
Is BaPPd a metal, semiconductor, or insulator?
Is BaPPd thermodynamically stable?
How many polymorphs of BaPPd are known?
What elements does BaPPd contain?
Where does the data for BaPPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, BaPPd occupies a unique niche due to its semiconducting electronic character, distinguishing it from more metallic siblings like BaPd or LaRh. While many members of this class, such as P3Ru or As2Pt, are primarily investigated for their metallic conductivity and catalytic activity, BaPPd offers a distinct electronic profile that may allow for more selective surface interactions in catalytic processes.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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