Li8FeO5F

Li8FeO5F is a metastable semiconducting oxyfluoride compound studied for its potential utility in advanced electrochemical energy storage architectures.

FFeLiO
Crystal structure of Li8FeO5F
Ground-state structure · Materials Project
Overview

About Li8FeO5F

Li8FeO5F is a complex oxyfluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a specialized chemical arrangement that offers unique pathways for ion mobility and structural flexibility within solid-state systems.

This material is of significant interest to researchers investigating novel lithium-rich frameworks. Its specific composition allows for intricate coordination environments, making it a subject of study for those developing next-generation energy storage components and advanced functional materials.

At a glance

Key Properties

Cross-validated computational properties for Li8FeO5F, aggregated across 3 databases.

Band Gap

2.72–3.00 eV
Range across DFT structures

Energy Above Hull

0.029 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where Li8FeO5F is used.

Electrochemical energy storage researchSolid-state ionicsAdvanced materials development
Reference

Frequently Asked Questions

Common questions about Li8FeO5F, answered from cross-validated data.

What is Li8FeO5F?

Li8FeO5F is a metastable semiconducting oxyfluoride compound studied for its potential utility in advanced electrochemical energy storage architectures.

More questions
What is Li8FeO5F used for?
Li8FeO5F is used in electrochemical energy storage research, solid-state ionics, and advanced materials development.
What is the band gap of Li8FeO5F?
Li8FeO5F has a DFT-computed band gap of 2.72–3.00 eV across 7 reported structures.
Is Li8FeO5F a metal, semiconductor, or insulator?
With a band gap up to 3.00 eV it is a semiconductor.
Is Li8FeO5F thermodynamically stable?
Li8FeO5F has a lowest energy above hull of 0.029 eV/atom (metastable).
How many polymorphs of Li8FeO5F are known?
7 structures of Li8FeO5F are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li8FeO5F contain?
Li8FeO5F contains F, Fe, Li, and O (4 elements).
Where does the data for Li8FeO5F come from?
Li8FeO5F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxyfluoride, Li8FeO5F occupies a distinct niche in materials research, serving as an example of the complex phase space accessible through the integration of lithium, iron, oxygen, and fluorine. It stands as a unique structural candidate for exploring metastable phases that may offer unconventional electrochemical performance compared to more traditional, thermodynamically stable oxide or fluoride counterparts.

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

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