Li2CrO2

Li2CrO2 is a semiconducting lithium oxide compound that is theoretically stable and serves as a candidate material for advanced electrochemical research.

Crystal structure of Li2CrO2
Ground-state structure · Materials Project
Overview

About Li2CrO2

Li2CrO2 is a semiconducting member of the lithium oxide family that exhibits a structure positioned near the thermodynamic stability hull. Its electronic properties and structural configuration make it a subject of interest for researchers investigating new lithium-based materials for electrochemical applications.

Because it is considered likely synthesizable, this compound serves as a valuable candidate for exploring phase stability and ion mobility. It contributes to the broader understanding of how transition metal oxides can be tuned for specific electronic and ionic performance requirements in solid-state devices.

At a glance

Key Properties

Cross-validated computational properties for Li2CrO2, aggregated across 3 databases.

Band Gap

0.98–2.51 eV
Range across DFT structures

Energy Above Hull

0.020 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

22
3 databases, 5 space groups
Uses

Applications

Where Li2CrO2 is used.

Solid-state battery researchElectrochemical energy storage studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li2CrO2, answered from cross-validated data.

What is Li2CrO2?

Li2CrO2 is a semiconducting lithium oxide compound that is theoretically stable and serves as a candidate material for advanced electrochemical research.

More questions
What is Li2CrO2 used for?
Li2CrO2 is used in solid-state battery research, electrochemical energy storage studies, and materials science exploration.
What is the band gap of Li2CrO2?
Li2CrO2 has a DFT-computed band gap of 0.98–2.51 eV across 22 reported structures.
Is Li2CrO2 a metal, semiconductor, or insulator?
With a band gap up to 2.51 eV it is a semiconductor.
Is Li2CrO2 thermodynamically stable?
Li2CrO2 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
How many polymorphs of Li2CrO2 are known?
22 structures of Li2CrO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li2CrO2 contain?
Li2CrO2 contains Cr, Li, and O (3 elements).
Where does the data for Li2CrO2 come from?
Li2CrO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Within the diverse class of lithium oxides, Li2CrO2 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiMn2O4. While LiCoO2 is a standard for commercial battery technology, Li2CrO2 represents a more exploratory phase that challenges the structural stability trends observed in common oxides like Li2O or Li2TiO3, offering a unique electronic profile for fundamental materials research.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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