Li3UO4

Li3UO4 is a thermodynamically stable, semiconducting ternary oxide containing lithium, uranium, and oxygen.

Crystal structure of Li3UO4
Ground-state structure · Materials Project
Overview

About Li3UO4

Li3UO4 is a thermodynamically stable lithium oxide that exhibits semiconducting electronic properties. As a member of the complex lithium-uranium-oxygen system, it represents a specialized inorganic phase characterized by its position on the convex hull, indicating robust stability under standard conditions. The compound has been identified through multiple structural studies, highlighting its significance in fundamental materials research. Its specific electronic behavior makes it a subject of interest for those studying the intersection of actinide chemistry and lithium-ion host frameworks. While not as widely deployed as commercial battery materials, it serves as a critical reference point for understanding the structural diversity of ternary lithium oxides.

At a glance

Key Properties

Cross-validated computational properties for Li3UO4, aggregated across 3 databases.

Band Gap

0.38 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Li3UO4, answered from cross-validated data.

What is Li3UO4?

Li3UO4 is a thermodynamically stable, semiconducting ternary oxide containing lithium, uranium, and oxygen.

More questions
What is the band gap of Li3UO4?
Li3UO4 has a DFT-computed band gap of 0.38 eV across 5 reported structures.
Is Li3UO4 a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is Li3UO4 thermodynamically stable?
Yes — Li3UO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3UO4 are known?
5 structures of Li3UO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3UO4 contain?
Li3UO4 contains Li, O, and U (3 elements).
Where does the data for Li3UO4 come from?
Li3UO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials LiCoO2, LiNiO2, and LiMn2O4, which are optimized for high-capacity electrochemical cycling, Li3UO4 occupies a more niche role within the lithium oxide class. While siblings like Li2O serve as fundamental binary oxides or simple ionic conductors, Li3UO4 incorporates the heavy actinide uranium, leading to distinct electronic and structural characteristics that differentiate it from the transition-metal-based oxides commonly found in energy storage applications.

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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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