LiVF6
LiVF6 is a thermodynamically stable, wide-band-gap insulating compound composed of lithium, vanadium, and fluorine.
About LiVF6
LiVF6 is a complex fluoride compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the lithium-vanadium-fluorine chemical space.
Given its high degree of structural diversity, this compound is a subject of interest for researchers investigating solid-state ionics and advanced inorganic materials. Its stability suggests potential for specialized applications where insulating properties and chemical resilience are required.
Key Properties
Cross-validated computational properties for LiVF6, 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 LiVF6 is used.
Frequently Asked Questions
Common questions about LiVF6, answered from cross-validated data.
What is LiVF6?
LiVF6 is a thermodynamically stable, wide-band-gap insulating compound composed of lithium, vanadium, and fluorine.
What is LiVF6 used for?
What is the band gap of LiVF6?
Is LiVF6 a metal, semiconductor, or insulator?
Is LiVF6 thermodynamically stable?
How many polymorphs of LiVF6 are known?
What elements does LiVF6 contain?
Where does the data for LiVF6 come from?
How It Compares
As a distinct inorganic fluoride, LiVF6 serves as a foundational example of stable ternary systems in this chemical family. It provides a benchmark for understanding how vanadium and lithium integrate within a fluorine-rich lattice, offering a stable reference point for future studies into similar complex fluoride compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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