Ba32P32Si8
Ba32P32Si8 is a thermodynamically stable, semiconducting ternary compound composed of barium, phosphorus, and silicon.
About Ba32P32Si8
Ba32P32Si8 is a complex ternary compound that sits firmly on the convex hull, indicating high thermodynamic stability. Its electronic character as a semiconductor makes it a subject of interest for researchers exploring novel inorganic materials with tunable properties. The presence of barium, phosphorus, and silicon suggests a sophisticated atomic arrangement that warrants further investigation into its potential electronic and structural utility. As a material with multiple reported structures across various databases, it represents a well-defined point in the chemical space of ternary barium-based systems.
Key Properties
Cross-validated computational properties for Ba32P32Si8, 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 Ba32P32Si8 is used.
Frequently Asked Questions
Common questions about Ba32P32Si8, answered from cross-validated data.
What is Ba32P32Si8?
Ba32P32Si8 is a thermodynamically stable, semiconducting ternary compound composed of barium, phosphorus, and silicon.
What is Ba32P32Si8 used for?
What is the band gap of Ba32P32Si8?
Is Ba32P32Si8 a metal, semiconductor, or insulator?
Is Ba32P32Si8 thermodynamically stable?
How many polymorphs of Ba32P32Si8 are known?
What elements does Ba32P32Si8 contain?
Where does the data for Ba32P32Si8 come from?
How It Compares
As a unique ternary phase within the barium-phosphorus-silicon system, this compound serves as a stable reference point for exploring complex semiconducting architectures. Unlike simpler binary phases, its intricate stoichiometry allows for a nuanced electronic landscape that distinguishes it from more common, less stable material configurations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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