Li6UO6

Li6UO6 is a thermodynamically stable, semiconducting lithium-uranium oxide used primarily in fundamental materials science research.

Crystal structure of Li6UO6
Ground-state structure · Materials Project
Overview

About Li6UO6

Li6UO6 is a structurally distinct member of the lithium oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a well-defined state within the lithium-uranium-oxygen system.

The compound is of significant interest for materials researchers studying the integration of actinides into lithium-rich oxide frameworks. Its stability and electronic properties make it a subject of investigation for understanding complex oxide formation and potential specialized electrochemical behaviors.

At a glance

Key Properties

Cross-validated computational properties for Li6UO6, aggregated across 3 databases.

Band Gap

2.17 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Li6UO6 is used.

Fundamental materials science researchSolid-state chemistry studiesActinide-based oxide investigation
Reference

Frequently Asked Questions

Common questions about Li6UO6, answered from cross-validated data.

What is Li6UO6?

Li6UO6 is a thermodynamically stable, semiconducting lithium-uranium oxide used primarily in fundamental materials science research.

More questions
What is Li6UO6 used for?
Li6UO6 is used in fundamental materials science research, solid-state chemistry studies, and actinide-based oxide investigation.
What is the band gap of Li6UO6?
Li6UO6 has a DFT-computed band gap of 2.17 eV across 6 reported structures.
Is Li6UO6 a metal, semiconductor, or insulator?
With a band gap up to 2.17 eV it is a semiconductor.
Is Li6UO6 thermodynamically stable?
Yes — Li6UO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li6UO6 are known?
6 structures of Li6UO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li6UO6 contain?
Li6UO6 contains Li, O, and U (3 elements).
Where does the data for Li6UO6 come from?
Li6UO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials in the lithium oxide class such as LiCoO2 or LiMn2O4, which are optimized for reversible ion intercalation, Li6UO6 serves as a more specialized structural study. While siblings like Li2O act as fundamental binary oxides, Li6UO6 demonstrates the complex coordination environments possible when incorporating heavier elements like uranium into the lithium oxide lattice.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

Analyze Li6UO6 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →