LiV2OF5

LiV2OF5 is a metastable, semiconducting lithium vanadium oxyfluoride used in advanced materials research.

FLiOV
Crystal structure of LiV2OF5
Ground-state structure · Materials Project
Overview

About LiV2OF5

LiV2OF5 is a complex oxyfluoride compound that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement of lithium, vanadium, oxygen, and fluorine atoms that offers distinct pathways for ion transport and electronic modulation.

This material is of significant interest in materials science due to its structural diversity, with numerous reported configurations across multiple databases. Its specific composition makes it a subject of ongoing investigation for researchers looking to expand the library of functional inorganic solids.

At a glance

Key Properties

Cross-validated computational properties for LiV2OF5, aggregated across 3 databases.

Band Gap

0.28–1.88 eV
Range across DFT structures

Energy Above Hull

0.050 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

44
3 databases, 8 space groups
Uses

Applications

Where LiV2OF5 is used.

Electrochemical energy storage researchSolid-state ionicsMaterials science exploration
Reference

Frequently Asked Questions

Common questions about LiV2OF5, answered from cross-validated data.

What is LiV2OF5?

LiV2OF5 is a metastable, semiconducting lithium vanadium oxyfluoride used in advanced materials research.

More questions
What is LiV2OF5 used for?
LiV2OF5 is used in electrochemical energy storage research, solid-state ionics, and materials science exploration.
What is the band gap of LiV2OF5?
LiV2OF5 has a DFT-computed band gap of 0.28–1.88 eV across 44 reported structures.
Is LiV2OF5 a metal, semiconductor, or insulator?
With a band gap up to 1.88 eV it is a semiconductor.
Is LiV2OF5 thermodynamically stable?
LiV2OF5 has a lowest energy above hull of 0.050 eV/atom (metastable).
How many polymorphs of LiV2OF5 are known?
44 structures of LiV2OF5 are reported across 3 databases, spanning 8 distinct space groups.
What elements does LiV2OF5 contain?
LiV2OF5 contains F, Li, O, and V (4 elements).
Where does the data for LiV2OF5 come from?
LiV2OF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxyfluoride, LiV2OF5 occupies a unique niche in the landscape of inorganic materials. Without direct structural siblings in this specific class, it serves as a distinct example of how incorporating both oxygen and fluorine into a lithium-vanadium framework can yield metastable phases with semiconducting characteristics.

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

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