BaP3
BaP3 is a thermodynamically stable semiconducting compound composed of barium and phosphorus.
About BaP3
BaP3 is a barium phosphide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable material located on the convex hull, it represents a robust phase within the barium-phosphorus chemical space. Its structural complexity is evidenced by numerous reported configurations across multiple materials databases, highlighting its significance in solid-state chemistry research.
The compound serves as a subject of interest for understanding the interplay between alkaline earth metals and pnictogens. Its stability suggests potential for integration into specialized electronic or optoelectronic devices where precise control over semiconducting properties is required.
Key Properties
Cross-validated computational properties for BaP3, 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting BaP3.
Applications
Where BaP3 is used.
Frequently Asked Questions
Common questions about BaP3, answered from cross-validated data.
What is BaP3?
BaP3 is a thermodynamically stable semiconducting compound composed of barium and phosphorus.
What is BaP3 used for?
What is the band gap of BaP3?
Is BaP3 a metal, semiconductor, or insulator?
Is BaP3 thermodynamically stable?
How many polymorphs of BaP3 are known?
How is BaP3 synthesized?
What elements does BaP3 contain?
Where does the data for BaP3 come from?
How It Compares
As a standalone representative of its specific stoichiometry, BaP3 serves as a foundational reference point for understanding the structural diversity of barium-rich phosphides. Its position on the convex hull makes it a benchmark for stability compared to other potential phases in the binary system.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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