Li2V3O6

Li2V3O6 is a metastable, semiconducting lithium vanadium oxide used in materials science research for its potential applications in electrochemical energy storage.

Crystal structure of Li2V3O6
Ground-state structure · Materials Project
Overview

About Li2V3O6

Li2V3O6 is a semiconducting member of the lithium oxide family that exists in a metastable state. Its complex structural landscape is highlighted by numerous reported configurations, reflecting the flexible coordination environments available to vanadium and lithium ions within the oxide framework. This material serves as an intriguing subject for research into ion-conducting oxides where electronic properties are dictated by the oxidation state of the transition metal.

Because of its semiconducting nature and metastable character, this compound is primarily investigated for its potential in energy storage and conversion technologies. The ability to host lithium ions within its lattice makes it a candidate for understanding intercalation mechanisms, which are critical for the development of next-generation battery electrodes and solid-state ionic conductors.

At a glance

Key Properties

Cross-validated computational properties for Li2V3O6, aggregated across 3 databases.

Band Gap

0.41–1.13 eV
Range across DFT structures

Energy Above Hull

0.045 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

19
3 databases, 4 space groups
Uses

Applications

Where Li2V3O6 is used.

Battery electrode researchSolid-state ionic conductor developmentElectrochemical energy storage studies
Reference

Frequently Asked Questions

Common questions about Li2V3O6, answered from cross-validated data.

What is Li2V3O6?

Li2V3O6 is a metastable, semiconducting lithium vanadium oxide used in materials science research for its potential applications in electrochemical energy storage.

More questions
What is Li2V3O6 used for?
Li2V3O6 is used in battery electrode research, solid-state ionic conductor development, and electrochemical energy storage studies.
What is the band gap of Li2V3O6?
Li2V3O6 has a DFT-computed band gap of 0.41–1.13 eV across 19 reported structures.
Is Li2V3O6 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is Li2V3O6 thermodynamically stable?
Li2V3O6 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of Li2V3O6 are known?
19 structures of Li2V3O6 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2V3O6 contain?
Li2V3O6 contains Li, O, and V (3 elements).
Where does the data for Li2V3O6 come from?
Li2V3O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Within the broad class of lithium oxides, Li2V3O6 occupies a distinct niche compared to highly stable, commercially established cathode materials like LiCoO2 or LiMn2O4. While Li2V3O6 shares the lithium-vanadium-oxygen system with the more commonly studied LiV3O8, its unique stoichiometry and metastable nature suggest a different structural evolution and electrochemical profile, setting it apart from the more robust, widely utilized lithium-transition metal oxides.

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Related Compounds

Other Lithium Oxides in the database.

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

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