Ba2F12Zr2
Ba2F12Zr2 is a thermodynamically stable, wide-gap insulating fluoride compound characterized by its structural robustness.
About Ba2F12Zr2
Ba2F12Zr2 is a complex fluoride compound that exhibits wide-gap insulating behavior. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for materials science research and structural analysis. The material has been characterized across multiple databases, reflecting its significance in the study of barium-zirconium fluoride systems. Its electronic character suggests it is well-suited for applications requiring high electrical resistance and dielectric stability. As a stable inorganic compound, it serves as a foundational building block for exploring complex fluoride architectures. Its structural integrity is a key feature that distinguishes it within the broader landscape of halide-based materials.
Key Properties
Cross-validated computational properties for Ba2F12Zr2, 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 Ba2F12Zr2 is used.
Frequently Asked Questions
Common questions about Ba2F12Zr2, answered from cross-validated data.
What is Ba2F12Zr2?
Ba2F12Zr2 is a thermodynamically stable, wide-gap insulating fluoride compound characterized by its structural robustness.
What is Ba2F12Zr2 used for?
What is the band gap of Ba2F12Zr2?
Is Ba2F12Zr2 a metal, semiconductor, or insulator?
Is Ba2F12Zr2 thermodynamically stable?
How many polymorphs of Ba2F12Zr2 are known?
What elements does Ba2F12Zr2 contain?
Where does the data for Ba2F12Zr2 come from?
How It Compares
As a unique fluoride phase, Ba2F12Zr2 occupies a distinct niche in materials chemistry. While it does not share its specific structural class with other common compounds in this database, its high thermodynamic stability sets a benchmark for synthetic fluoride materials, providing a reliable reference point for future studies in ionic conductors or optical materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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