LiV3O6

LiV3O6 is a metastable, semiconducting lithium vanadium oxide used primarily in fundamental materials research.

Crystal structure of LiV3O6
Ground-state structure · Materials Project
Overview

About LiV3O6

LiV3O6 is a semiconducting lithium oxide characterized by its metastable nature. As a complex oxide of lithium and vanadium, it represents a unique structural arrangement that distinguishes it from more common lithium-based battery materials. Its electronic properties make it an interesting subject for fundamental research into vanadium-based systems.

This compound is primarily studied for its potential roles in electrochemical applications where specific vanadium oxidation states are required. While it lacks the widespread commercial adoption of some of its counterparts, its structural diversity and the availability of multiple reported phases highlight its significance in solid-state chemistry investigations.

At a glance

Key Properties

Cross-validated computational properties for LiV3O6, aggregated across 3 databases.

Band Gap

0.36–1.15 eV
Range across DFT structures

Energy Above Hull

0.038 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

8
3 databases, 3 space groups
Uses

Applications

Where LiV3O6 is used.

Electrochemical researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about LiV3O6, answered from cross-validated data.

What is LiV3O6?

LiV3O6 is a metastable, semiconducting lithium vanadium oxide used primarily in fundamental materials research.

More questions
What is LiV3O6 used for?
LiV3O6 is used in electrochemical research and solid-state chemistry studies.
What is the band gap of LiV3O6?
LiV3O6 has a DFT-computed band gap of 0.36–1.15 eV across 8 reported structures.
Is LiV3O6 a metal, semiconductor, or insulator?
With a band gap up to 1.15 eV it is a semiconductor.
Is LiV3O6 thermodynamically stable?
LiV3O6 has a lowest energy above hull of 0.038 eV/atom (metastable).
How many polymorphs of LiV3O6 are known?
8 structures of LiV3O6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiV3O6 contain?
LiV3O6 contains Li, O, and V (3 elements).
Where does the data for LiV3O6 come from?
LiV3O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Within the broad class of lithium oxides, LiV3O6 occupies a distinct niche compared to high-performance cathode materials like LiCoO2 or LiMn2O4. While LiV3O8 is a more frequently cited vanadium-based sibling in energy storage research, LiV3O6 serves as a critical point of comparison for understanding the phase stability and structural evolution of lithium-vanadium-oxygen systems.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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