LiVO2F

LiVO2F is a metastable semiconducting oxyfluoride material that is primarily investigated for its unique electrochemical properties.

FLiOV
Crystal structure of LiVO2F
Ground-state structure · Materials Project
Overview

About LiVO2F

LiVO2F is a complex oxyfluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique intersection of lithium, vanadium, oxygen, and fluorine chemistry, offering a distinct structural framework that has been documented across multiple crystallographic databases.

Its significance lies in the interplay between the anion sublattice and the transition metal center, which influences its electrochemical behavior. Researchers study this compound to better understand how the substitution of fluorine into oxide lattices can tune electronic properties for potential use in high-performance battery systems.

At a glance

Key Properties

Cross-validated computational properties for LiVO2F, aggregated across 3 databases.

Band Gap

2.43 eV
Range across DFT structures

Energy Above Hull

0.075 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where LiVO2F is used.

Electrochemical energy storage researchBattery electrode materials development
Reference

Frequently Asked Questions

Common questions about LiVO2F, answered from cross-validated data.

What is LiVO2F?

LiVO2F is a metastable semiconducting oxyfluoride material that is primarily investigated for its unique electrochemical properties.

More questions
What is LiVO2F used for?
LiVO2F is used in electrochemical energy storage research and battery electrode materials development.
What is the band gap of LiVO2F?
LiVO2F has a DFT-computed band gap of 2.43 eV across 5 reported structures.
Is LiVO2F a metal, semiconductor, or insulator?
With a band gap up to 2.43 eV it is a semiconductor.
Is LiVO2F thermodynamically stable?
LiVO2F has a lowest energy above hull of 0.075 eV/atom (metastable).
How many polymorphs of LiVO2F are known?
5 structures of LiVO2F are reported across 3 databases, spanning 1 distinct space group.
What elements does LiVO2F contain?
LiVO2F contains F, Li, O, and V (4 elements).
Where does the data for LiVO2F come from?
LiVO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxyfluoride, LiVO2F occupies a niche position within materials science, serving as a model for investigating the stability and electronic modulation of metastable transition metal compounds where oxygen and fluorine coexist in the anionic framework.

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

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