Li3FeF6
Li3FeF6 is a stable, insulating fluoride compound known for its diverse structural configurations.
About Li3FeF6
Li3FeF6 is a distinct fluoride compound that exhibits insulating electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
The material is characterized by a high degree of structural diversity, with numerous reported configurations across major databases. This structural richness makes it a compelling subject for researchers investigating the fundamental properties of lithium-iron-fluorine systems.
Key Properties
Cross-validated computational properties for Li3FeF6, 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.
Frequently Asked Questions
Common questions about Li3FeF6, answered from cross-validated data.
What is Li3FeF6?
Li3FeF6 is a stable, insulating fluoride compound known for its diverse structural configurations.
What is the band gap of Li3FeF6?
Is Li3FeF6 a metal, semiconductor, or insulator?
Is Li3FeF6 thermodynamically stable?
How many polymorphs of Li3FeF6 are known?
What elements does Li3FeF6 contain?
Where does the data for Li3FeF6 come from?
How It Compares
As a stable fluoride phase, Li3FeF6 serves as a foundational reference point for understanding the interplay between lithium and iron in complex anionic frameworks. Its position on the convex hull highlights its chemical durability compared to more metastable configurations within similar fluoride-based material classes.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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