Li4Co2OF7

Li4Co2OF7 is a metastable, semiconducting lithium transition-metal oxyfluoride used in advanced battery material research.

Crystal structure of Li4Co2OF7
Ground-state structure · Materials Project
Overview

About Li4Co2OF7

Li4Co2OF7 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement within the lithium-cobalt-oxygen-fluorine system, offering unique pathways for ion mobility and redox activity.

This material is primarily utilized in the study of high-performance energy storage systems. Its distinct composition allows researchers to explore how anion substitution, specifically the inclusion of fluorine, influences the structural stability and electrochemical performance of transition-metal oxides in next-generation battery architectures.

At a glance

Key Properties

Cross-validated computational properties for Li4Co2OF7, aggregated across 3 databases.

Band Gap

1.31–1.41 eV
Range across DFT structures

Energy Above Hull

0.035 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where Li4Co2OF7 is used.

Battery material researchEnergy storage developmentElectrochemical studies
Reference

Frequently Asked Questions

Common questions about Li4Co2OF7, answered from cross-validated data.

What is Li4Co2OF7?

Li4Co2OF7 is a metastable, semiconducting lithium transition-metal oxyfluoride used in advanced battery material research.

More questions
What is Li4Co2OF7 used for?
Li4Co2OF7 is used in battery material research, energy storage development, and electrochemical studies.
What is the band gap of Li4Co2OF7?
Li4Co2OF7 has a DFT-computed band gap of 1.31–1.41 eV across 14 reported structures.
Is Li4Co2OF7 a metal, semiconductor, or insulator?
With a band gap up to 1.41 eV it is a semiconductor.
Is Li4Co2OF7 thermodynamically stable?
Li4Co2OF7 has a lowest energy above hull of 0.035 eV/atom (metastable).
How many polymorphs of Li4Co2OF7 are known?
14 structures of Li4Co2OF7 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li4Co2OF7 contain?
Li4Co2OF7 contains Co, F, Li, and O (4 elements).
Where does the data for Li4Co2OF7 come from?
Li4Co2OF7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li4Co2OF7 occupies a specialized niche compared to more conventional materials like LiCoO2. While LiCoO2 serves as a standard cathode benchmark, Li4Co2OF7 introduces complex anionic frameworks that differentiate its structural stability and electronic behavior from the simpler oxide-based lattices found in LiNiO2 or LiMnO2.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

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