VO2F

VO2F is a wide-gap insulating oxyfluoride material that is considered thermodynamically stable and a subject of ongoing structural research.

FOV
Crystal structure of VO2F
Ground-state structure · Materials Project
Overview

About VO2F

VO2F is an insulating oxyfluoride compound characterized by a wide electronic band gap. Its composition of vanadium, oxygen, and fluorine places it in a unique structural category that bridges the properties of transition metal oxides and fluorides.

As a near-hull material, it is considered thermodynamically stable and likely synthesizable under controlled laboratory conditions. The compound has been the subject of significant structural investigation, appearing across multiple databases as a material of interest for fundamental solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for VO2F, aggregated across 3 databases.

Band Gap

0.83–3.05 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

85
3 databases, 12 space groups
Uses

Applications

Where VO2F is used.

Solid-state chemistry researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about VO2F, answered from cross-validated data.

What is VO2F?

VO2F is a wide-gap insulating oxyfluoride material that is considered thermodynamically stable and a subject of ongoing structural research.

More questions
What is VO2F used for?
VO2F is used in solid-state chemistry research and fundamental materials science studies.
What is the band gap of VO2F?
VO2F has a DFT-computed band gap of 0.83–3.05 eV across 85 reported structures.
Is VO2F a metal, semiconductor, or insulator?
With a wide band gap up to 3.05 eV it is an insulator / wide-band-gap material.
Is VO2F thermodynamically stable?
VO2F has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
How many polymorphs of VO2F are known?
85 structures of VO2F are reported across 3 databases, spanning 12 distinct space groups.
What elements does VO2F contain?
VO2F contains F, O, and V (3 elements).
Where does the data for VO2F come from?
VO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct oxyfluoride, VO2F occupies a specialized niche within the broader landscape of vanadium-based compounds. While it lacks direct structural siblings in this specific dataset, it serves as a representative example of how anion substitution can be used to tune the electronic and structural properties of transition metal frameworks.

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

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