BaYCl5
BaYCl5 is a metastable, insulating halide compound composed of barium, yttrium, and chlorine.
About BaYCl5
BaYCl5 is a complex halide material characterized by its wide-gap insulating electronic profile. As a metastable compound, it represents a unique structural arrangement of barium, yttrium, and chlorine ions that offers researchers a distinct platform for studying halide-based solid-state chemistry.
Its significance lies in its electronic insulating nature, which makes it a candidate for specialized applications where dielectric properties or specific ionic environments are required. The material has been documented across multiple databases, highlighting its interest within the scientific community as a subject for structural investigation.
Key Properties
Cross-validated computational properties for BaYCl5, 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 BaYCl5 is used.
Frequently Asked Questions
Common questions about BaYCl5, answered from cross-validated data.
What is BaYCl5?
BaYCl5 is a metastable, insulating halide compound composed of barium, yttrium, and chlorine.
What is BaYCl5 used for?
What is the band gap of BaYCl5?
Is BaYCl5 a metal, semiconductor, or insulator?
Is BaYCl5 thermodynamically stable?
How many polymorphs of BaYCl5 are known?
What elements does BaYCl5 contain?
Where does the data for BaYCl5 come from?
How It Compares
As a unique halide compound, BaYCl5 occupies a specialized niche within the broader landscape of complex inorganic chlorides. While many related halide systems are investigated for their ion-conducting or optical properties, this compound stands out due to its specific metastable state, providing a distinct structural framework for researchers exploring non-equilibrium material phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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