Li2VOF3

Li2VOF3 is a metastable, semiconducting inorganic compound composed of lithium, vanadium, oxygen, and fluorine.

FLiOV
Crystal structure of Li2VOF3
Ground-state structure · Materials Project
Overview

About Li2VOF3

Li2VOF3 is a complex inorganic compound composed of lithium, vanadium, oxygen, and fluorine. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating advanced solid-state chemistry and potential energy-related technologies.

This compound is characterized as metastable, indicating that it exists in a state that requires specific synthetic pathways to achieve. With multiple reported structures across various databases, it represents a significant point of study for understanding the structural diversity and phase stability of vanadium-based oxyfluorides.

At a glance

Key Properties

Cross-validated computational properties for Li2VOF3, aggregated across 3 databases.

Band Gap

1.08–2.37 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 7 space groups
Uses

Applications

Where Li2VOF3 is used.

Solid-state chemistry researchMaterials science explorationAdvanced battery material investigation
Reference

Frequently Asked Questions

Common questions about Li2VOF3, answered from cross-validated data.

What is Li2VOF3?

Li2VOF3 is a metastable, semiconducting inorganic compound composed of lithium, vanadium, oxygen, and fluorine.

More questions
What is Li2VOF3 used for?
Li2VOF3 is used in solid-state chemistry research, materials science exploration, and advanced battery material investigation.
What is the band gap of Li2VOF3?
Li2VOF3 has a DFT-computed band gap of 1.08–2.37 eV across 17 reported structures.
Is Li2VOF3 a metal, semiconductor, or insulator?
With a band gap up to 2.37 eV it is a semiconductor.
Is Li2VOF3 thermodynamically stable?
Li2VOF3 has a lowest energy above hull of 0.049 eV/atom (metastable).
How many polymorphs of Li2VOF3 are known?
17 structures of Li2VOF3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li2VOF3 contain?
Li2VOF3 contains F, Li, O, and V (4 elements).
Where does the data for Li2VOF3 come from?
Li2VOF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the vanadium-based oxyfluoride family, Li2VOF3 occupies a distinct niche in materials research. While it lacks direct structural siblings in this specific dataset, its metastable nature and semiconducting behavior position it as a key reference point for exploring the broader landscape of complex lithium-containing frameworks.

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

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