LiVF5

LiVF5 is a semiconducting lithium vanadium fluoride that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.

FLiV
Crystal structure of LiVF5
Ground-state structure · Materials Project
Overview

About LiVF5

LiVF5 is a complex fluoride compound characterized by its semiconducting electronic structure. Its position as a near-hull material suggests it possesses favorable thermodynamic stability, making it a viable candidate for experimental synthesis and further materials characterization. This compound represents an intriguing entry in the study of lithium-based inorganic fluorides, where the interplay between the transition metal and the halide framework dictates its physical properties. Researchers are particularly interested in its potential for energy storage technologies where structural integrity and electronic behavior are paramount.

At a glance

Key Properties

Cross-validated computational properties for LiVF5, aggregated across 3 databases.

Band Gap

0.11–2.23 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

56
3 databases, 12 space groups
Uses

Applications

Where LiVF5 is used.

Electrochemical energy storage researchSolid-state ionicsAdvanced materials synthesis
Reference

Frequently Asked Questions

Common questions about LiVF5, answered from cross-validated data.

What is LiVF5?

LiVF5 is a semiconducting lithium vanadium fluoride that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.

More questions
What is LiVF5 used for?
LiVF5 is used in electrochemical energy storage research, solid-state ionics, and advanced materials synthesis.
What is the band gap of LiVF5?
LiVF5 has a DFT-computed band gap of 0.11–2.23 eV across 56 reported structures.
Is LiVF5 a metal, semiconductor, or insulator?
With a band gap up to 2.23 eV it is a semiconductor.
Is LiVF5 thermodynamically stable?
LiVF5 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of LiVF5 are known?
56 structures of LiVF5 are reported across 3 databases, spanning 12 distinct space groups.
What elements does LiVF5 contain?
LiVF5 contains F, Li, and V (3 elements).
Where does the data for LiVF5 come from?
LiVF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the diverse family of lithium transition metal fluorides, LiVF5 occupies a unique niche due to its specific electronic character. While many related fluoride systems are investigated for their insulating properties, this compound stands out for its semiconducting nature, which may offer distinct advantages in charge transport mechanisms compared to more traditional ionic insulators within the class.

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

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