Li2VO2F

Li2VO2F is a semiconducting oxyfluoride compound that is considered a strong candidate for experimental synthesis due to its favorable thermodynamic stability.

FLiOV
Crystal structure of Li2VO2F
Ground-state structure · Materials Project
Overview

About Li2VO2F

Li2VO2F is a quaternary oxyfluoride compound characterized by its semiconducting electronic structure. As a material that sits near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and practical investigation in solid-state chemistry.

This compound is of significant interest due to its structural versatility, evidenced by a substantial number of reported configurations across various databases. Its unique combination of lithium, vanadium, oxygen, and fluorine positions it as a subject of interest for researchers exploring novel functional materials.

At a glance

Key Properties

Cross-validated computational properties for Li2VO2F, aggregated across 3 databases.

Band Gap

0.09–1.83 eV
Range across DFT structures

Energy Above Hull

0.005 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

86
3 databases, 15 space groups
Uses

Applications

Where Li2VO2F is used.

Energy storage researchSolid-state battery developmentMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li2VO2F, answered from cross-validated data.

What is Li2VO2F?

Li2VO2F is a semiconducting oxyfluoride compound that is considered a strong candidate for experimental synthesis due to its favorable thermodynamic stability.

More questions
What is Li2VO2F used for?
Li2VO2F is used in energy storage research, solid-state battery development, and materials science exploration.
What is the band gap of Li2VO2F?
Li2VO2F has a DFT-computed band gap of 0.09–1.83 eV across 86 reported structures.
Is Li2VO2F a metal, semiconductor, or insulator?
With a band gap up to 1.83 eV it is a semiconductor.
Is Li2VO2F thermodynamically stable?
Li2VO2F has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
How many polymorphs of Li2VO2F are known?
86 structures of Li2VO2F are reported across 3 databases, spanning 15 distinct space groups.
What elements does Li2VO2F contain?
Li2VO2F contains F, Li, O, and V (4 elements).
Where does the data for Li2VO2F come from?
Li2VO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique oxyfluoride, Li2VO2F represents a distinct structural arrangement within the landscape of lithium-based vanadium compounds. While it shares elemental components with various vanadium oxides and fluorides, its specific stoichiometry allows it to occupy a specialized niche in materials design where electronic properties can be tuned through anionic substitution.

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

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