FFeLi5O3

FFeLi5O3 is a metastable, semiconducting lithium iron oxyfluoride used in advanced materials research.

FFeLiO
Crystal structure of FFeLi5O3
Ground-state structure · Materials Project
Overview

About FFeLi5O3

FFeLi5O3 is a complex oxyfluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique intersection of iron-based chemistry and lithium-rich environments, making it a subject of interest for researchers investigating non-equilibrium phase stability.

Its structural diversity is highlighted by multiple reported configurations across various databases. This compound is primarily studied for its potential utility in specialized electrochemical systems where the interplay between fluorine and oxygen anions can influence ion transport and redox behavior.

At a glance

Key Properties

Cross-validated computational properties for FFeLi5O3, aggregated across 3 databases.

Band Gap

2.47–2.75 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where FFeLi5O3 is used.

Electrochemical researchMaterials science studiesSolid-state ionics investigation
Reference

Frequently Asked Questions

Common questions about FFeLi5O3, answered from cross-validated data.

What is FFeLi5O3?

FFeLi5O3 is a metastable, semiconducting lithium iron oxyfluoride used in advanced materials research.

More questions
What is FFeLi5O3 used for?
FFeLi5O3 is used in electrochemical research, materials science studies, and solid-state ionics investigation.
What is the band gap of FFeLi5O3?
FFeLi5O3 has a DFT-computed band gap of 2.47–2.75 eV across 5 reported structures.
Is FFeLi5O3 a metal, semiconductor, or insulator?
With a band gap up to 2.75 eV it is a semiconductor.
Is FFeLi5O3 thermodynamically stable?
FFeLi5O3 has a lowest energy above hull of 0.047 eV/atom (metastable).
How many polymorphs of FFeLi5O3 are known?
5 structures of FFeLi5O3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does FFeLi5O3 contain?
FFeLi5O3 contains F, Fe, Li, and O (4 elements).
Where does the data for FFeLi5O3 come from?
FFeLi5O3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxyfluoride, FFeLi5O3 occupies a distinct niche within inorganic materials science. While many lithium-iron compounds are explored for battery applications, this specific composition stands out due to its metastable nature and the inclusion of fluorine, which alters the local coordination environment compared to standard lithium-iron oxides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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