Li2Cr3O6

Li2Cr3O6 is a metastable, semiconducting lithium oxide material studied for its complex structural properties and potential role in energy storage applications.

Crystal structure of Li2Cr3O6
Ground-state structure · Materials Project
Overview

About Li2Cr3O6

Li2Cr3O6 is a semiconducting lithium oxide that exists in a metastable state. Its complex structural landscape is evidenced by the numerous reported configurations found across material databases, highlighting its intricate chemistry and potential for structural tuning.

As a member of the diverse lithium oxide family, this compound serves as a subject of interest for researchers investigating ion-conducting pathways and electronic behavior. Its unique composition makes it a valuable candidate for fundamental studies in solid-state chemistry and energy storage materials.

At a glance

Key Properties

Cross-validated computational properties for Li2Cr3O6, aggregated across 3 databases.

Band Gap

0.51–0.57 eV
Range across DFT structures

Energy Above Hull

0.073 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

14
3 databases, 3 space groups
Uses

Applications

Where Li2Cr3O6 is used.

Energy storage researchSolid-state ionicsMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li2Cr3O6, answered from cross-validated data.

What is Li2Cr3O6?

Li2Cr3O6 is a metastable, semiconducting lithium oxide material studied for its complex structural properties and potential role in energy storage applications.

More questions
What is Li2Cr3O6 used for?
Li2Cr3O6 is used in energy storage research, solid-state ionics, and materials science exploration.
What is the band gap of Li2Cr3O6?
Li2Cr3O6 has a DFT-computed band gap of 0.51–0.57 eV across 14 reported structures.
Is Li2Cr3O6 a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is Li2Cr3O6 thermodynamically stable?
Li2Cr3O6 has a lowest energy above hull of 0.073 eV/atom (metastable).
How many polymorphs of Li2Cr3O6 are known?
14 structures of Li2Cr3O6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2Cr3O6 contain?
Li2Cr3O6 contains Cr, Li, and O (3 elements).
Where does the data for Li2Cr3O6 come from?
Li2Cr3O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely commercialized LiCoO2 or LiMn2O4, which are staples in lithium-ion battery technology, Li2Cr3O6 is characterized by its metastable nature. While compounds like LiV3O8 share a similar complex stoichiometry and layered potential, Li2Cr3O6 occupies a distinct niche in the lithium oxide class, offering a different electronic profile compared to the more common Li2O or Li4SiO4.

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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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