Ba2Cl1P1
Ba2Cl1P1 is a stable, semiconducting inorganic compound containing barium, chlorine, and phosphorus.
About Ba2Cl1P1
Ba2Cl1P1 is a complex inorganic compound composed of barium, chlorine, and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-suited for further investigation into its electronic properties.
This material functions as a semiconductor, positioning it as a candidate for specialized electronic applications. Its existence across multiple reported structures suggests a versatile structural chemistry that warrants deeper exploration in the context of modern materials science.
Key Properties
Cross-validated computational properties for Ba2Cl1P1, aggregated across 2 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 Ba2Cl1P1 is used.
Frequently Asked Questions
Common questions about Ba2Cl1P1, answered from cross-validated data.
What is Ba2Cl1P1?
Ba2Cl1P1 is a stable, semiconducting inorganic compound containing barium, chlorine, and phosphorus.
What is Ba2Cl1P1 used for?
What is the band gap of Ba2Cl1P1?
Is Ba2Cl1P1 a metal, semiconductor, or insulator?
Is Ba2Cl1P1 thermodynamically stable?
How many polymorphs of Ba2Cl1P1 are known?
What elements does Ba2Cl1P1 contain?
Where does the data for Ba2Cl1P1 come from?
How It Compares
As a unique ternary phase, Ba2Cl1P1 occupies a distinct position within its chemical space. Without direct structural siblings, it serves as a foundational example of how barium-based halide-phosphides can achieve thermodynamic stability while maintaining semiconducting behavior.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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