Li2VF4

Li2VF4 is a semiconducting lithium vanadium fluoride compound that is considered a viable candidate for synthesis due to its thermodynamic stability.

FLiV
Crystal structure of Li2VF4
Ground-state structure · Materials Project
Overview

About Li2VF4

Li2VF4 is a complex fluoride material characterized by its semiconducting electronic structure. Its position near the thermodynamic hull indicates that it is a stable candidate for experimental realization and further study in materials science research. The compound represents a significant point of interest due to its structural diversity, with numerous reported configurations across major databases. This variety suggests a flexible lattice capable of accommodating different atomic arrangements, which is essential for exploring new functional properties in fluoride-based systems.

At a glance

Key Properties

Cross-validated computational properties for Li2VF4, aggregated across 3 databases.

Band Gap

0.32–2.95 eV
Range across DFT structures

Energy Above Hull

0.017 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

36
3 databases, 10 space groups
Uses

Applications

Where Li2VF4 is used.

Solid-state battery researchAdvanced fluoride material developmentFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Li2VF4, answered from cross-validated data.

What is Li2VF4?

Li2VF4 is a semiconducting lithium vanadium fluoride compound that is considered a viable candidate for synthesis due to its thermodynamic stability.

More questions
What is Li2VF4 used for?
Li2VF4 is used in solid-state battery research, advanced fluoride material development, and fundamental materials science studies.
What is the band gap of Li2VF4?
Li2VF4 has a DFT-computed band gap of 0.32–2.95 eV across 36 reported structures.
Is Li2VF4 a metal, semiconductor, or insulator?
With a band gap up to 2.95 eV it is a semiconductor.
Is Li2VF4 thermodynamically stable?
Li2VF4 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
How many polymorphs of Li2VF4 are known?
36 structures of Li2VF4 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Li2VF4 contain?
Li2VF4 contains F, Li, and V (3 elements).
Where does the data for Li2VF4 come from?
Li2VF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct fluoride compound, Li2VF4 occupies a unique niche in materials exploration. While it currently stands as a singular subject of study within this specific chemical space, its proximity to the thermodynamic stability limit positions it as a promising benchmark for future research into lithium-vanadium-fluoride frameworks.

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

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