BBa2Cl17Zr6
BBa2Cl17Zr6 is a stable, semiconducting quaternary halide compound composed of boron, barium, chlorine, and zirconium.
About BBa2Cl17Zr6
BBa2Cl17Zr6 is a complex inorganic compound featuring a unique arrangement of boron, barium, chlorine, and zirconium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental materials research.
This material exhibits semiconducting electronic character, positioning it as a candidate for specialized electronic or optoelectronic applications. Its structural complexity and stability suggest it may offer distinct pathways for tuning physical properties in advanced inorganic synthesis.
Key Properties
Cross-validated computational properties for BBa2Cl17Zr6, 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 BBa2Cl17Zr6 is used.
Frequently Asked Questions
Common questions about BBa2Cl17Zr6, answered from cross-validated data.
What is BBa2Cl17Zr6?
BBa2Cl17Zr6 is a stable, semiconducting quaternary halide compound composed of boron, barium, chlorine, and zirconium.
What is BBa2Cl17Zr6 used for?
What is the band gap of BBa2Cl17Zr6?
Is BBa2Cl17Zr6 a metal, semiconductor, or insulator?
Is BBa2Cl17Zr6 thermodynamically stable?
How many polymorphs of BBa2Cl17Zr6 are known?
What elements does BBa2Cl17Zr6 contain?
Where does the data for BBa2Cl17Zr6 come from?
How It Compares
As a specialized halide-based material, BBa2Cl17Zr6 occupies a distinct niche in solid-state chemistry. Unlike simpler binary halides, its multi-element composition allows for intricate structural motifs that are not typically found in conventional ionic salts, marking it as a unique entry in the landscape of complex zirconium-based halides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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