Li6CrO6

Li6CrO6 is a metastable, semiconducting lithium oxide compound studied for its structural properties within the lithium-chromium-oxygen system.

Crystal structure of Li6CrO6
Ground-state structure · Materials Project
Overview

About Li6CrO6

Li6CrO6 is a semiconducting lithium oxide that exists in a metastable state. Its unique electronic configuration and structural arrangement make it a subject of interest for researchers investigating lithium-rich oxide systems for potential electrochemical applications. The compound is characterized by a complex lattice arrangement, reflecting the diverse coordination environments possible within the lithium-chromium-oxygen ternary system. As a metastable phase, it provides valuable insights into the synthesis pathways and stability limits of lithium-based materials.

At a glance

Key Properties

Cross-validated computational properties for Li6CrO6, aggregated across 3 databases.

Band Gap

0.53 eV
Range across DFT structures

Energy Above Hull

0.082 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Li6CrO6, answered from cross-validated data.

What is Li6CrO6?

Li6CrO6 is a metastable, semiconducting lithium oxide compound studied for its structural properties within the lithium-chromium-oxygen system.

More questions
What is the band gap of Li6CrO6?
Li6CrO6 has a DFT-computed band gap of 0.53 eV across 5 reported structures.
Is Li6CrO6 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is Li6CrO6 thermodynamically stable?
Li6CrO6 has a lowest energy above hull of 0.082 eV/atom (metastable).
How many polymorphs of Li6CrO6 are known?
5 structures of Li6CrO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li6CrO6 contain?
Li6CrO6 contains Cr, Li, and O (3 elements).
Where does the data for Li6CrO6 come from?
Li6CrO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which serve as foundational cathode materials in battery technology, Li6CrO6 represents a more specialized, metastable member of the lithium oxide family. While materials like Li2O act as simple binary precursors or electrolytes, Li6CrO6 occupies a niche position, offering a distinct structural framework compared to the layered or spinel architectures found in commercial lithium-ion battery 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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