Li2Fe2OF6
Li2Fe2OF6 is a metastable semiconducting oxyfluoride material currently being researched for its potential utility in advanced energy storage applications.

About Li2Fe2OF6
Li2Fe2OF6 is an intriguing oxyfluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a complex arrangement of lithium, iron, oxygen, and fluorine atoms that offers unique pathways for ion transport and structural reconfiguration.
This material is of significant interest to researchers investigating novel cathode chemistries and solid-state electrolytes. Its ability to exist in multiple structural configurations suggests a high degree of versatility for applications requiring tunable electronic and ionic properties.
Key Properties
Cross-validated computational properties for Li2Fe2OF6, 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 Li2Fe2OF6 is used.
Frequently Asked Questions
Common questions about Li2Fe2OF6, answered from cross-validated data.
What is Li2Fe2OF6?
Li2Fe2OF6 is a metastable semiconducting oxyfluoride material currently being researched for its potential utility in advanced energy storage applications.
What is Li2Fe2OF6 used for?
What is the band gap of Li2Fe2OF6?
Is Li2Fe2OF6 a metal, semiconductor, or insulator?
Is Li2Fe2OF6 thermodynamically stable?
How many polymorphs of Li2Fe2OF6 are known?
What elements does Li2Fe2OF6 contain?
Where does the data for Li2Fe2OF6 come from?
How It Compares
As a member of the oxyfluoride family, Li2Fe2OF6 occupies a specialized niche due to its metastable nature. While many related materials are synthesized for high-stability applications, this compound is primarily studied for its potential to provide distinct electrochemical advantages in emerging battery technologies.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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