Li2Fe2OF6

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

FFeLiO
Crystal structure of Li2Fe2OF6
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Li2Fe2OF6, aggregated across 3 databases.

Band Gap

2.33 eV
Range across DFT structures

Energy Above Hull

0.044 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li2Fe2OF6 is used.

Electrochemical energy storageSolid-state battery researchCathode material development
Reference

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.

More questions
What is Li2Fe2OF6 used for?
Li2Fe2OF6 is used in electrochemical energy storage, solid-state battery research, and cathode material development.
What is the band gap of Li2Fe2OF6?
Li2Fe2OF6 has a DFT-computed band gap of 2.33 eV across 5 reported structures.
Is Li2Fe2OF6 a metal, semiconductor, or insulator?
With a band gap up to 2.33 eV it is a semiconductor.
Is Li2Fe2OF6 thermodynamically stable?
Li2Fe2OF6 has a lowest energy above hull of 0.044 eV/atom (metastable).
How many polymorphs of Li2Fe2OF6 are known?
5 structures of Li2Fe2OF6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2Fe2OF6 contain?
Li2Fe2OF6 contains F, Fe, Li, and O (4 elements).
Where does the data for Li2Fe2OF6 come from?
Li2Fe2OF6 data is cross-referenced from latticegraph.
Comparison

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

Analyze Li2Fe2OF6 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →