CaTiF6
CaTiF6 is a stable, wide-band-gap insulating fluoride compound composed of calcium, titanium, and fluorine.
About CaTiF6
CaTiF6 is a stable inorganic fluoride compound characterized by its wide-band-gap insulating electronic nature. As a material that resides on the thermodynamic convex hull, it exhibits significant structural robustness, making it a subject of interest for fundamental solid-state research. Its composition of calcium, titanium, and fluorine suggests unique coordination environments that are critical for understanding complex fluoride chemistry. The material is well-documented in structural databases, reflecting its importance in the study of stable ionic lattices. Its insulating properties and chemical stability position it as a candidate for specialized applications where dielectric performance or structural integrity is required. Ongoing research into its diverse structural phases continues to provide insights into the behavior of transition metal fluorides.
Key Properties
Cross-validated computational properties for CaTiF6, 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 CaTiF6 is used.
Frequently Asked Questions
Common questions about CaTiF6, answered from cross-validated data.
What is CaTiF6?
CaTiF6 is a stable, wide-band-gap insulating fluoride compound composed of calcium, titanium, and fluorine.
What is CaTiF6 used for?
What is the band gap of CaTiF6?
Is CaTiF6 a metal, semiconductor, or insulator?
Is CaTiF6 thermodynamically stable?
How many polymorphs of CaTiF6 are known?
What elements does CaTiF6 contain?
Where does the data for CaTiF6 come from?
How It Compares
As a thermodynamically stable fluoride, CaTiF6 represents a robust member of the broader family of complex transition metal fluorides. Unlike more reactive or metastable compounds in this class, its position on the convex hull indicates a high degree of stability, serving as a reliable benchmark for studying the structural evolution of fluoride-based insulating materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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