Li4SeO5

Li4SeO5 is a thermodynamically stable, semiconducting lithium oxide compound used in materials science research.

Crystal structure of Li4SeO5
Ground-state structure · Materials Project
Overview

About Li4SeO5

Li4SeO5 is a thermodynamically stable lithium oxide that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material within the lithium oxide family, it represents a specialized composition that contributes to the diversity of lithium-based inorganic chemistry.

Its existence across multiple structural databases highlights its importance in fundamental materials research. This compound serves as a model for understanding how selenium integration influences the electronic and thermodynamic landscape of lithium-rich oxide systems.

At a glance

Key Properties

Cross-validated computational properties for Li4SeO5, aggregated across 3 databases.

Band Gap

2.44 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
Uses

Applications

Where Li4SeO5 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Li4SeO5, answered from cross-validated data.

What is Li4SeO5?

Li4SeO5 is a thermodynamically stable, semiconducting lithium oxide compound used in materials science research.

More questions
What is Li4SeO5 used for?
Li4SeO5 is used in materials science research and solid-state chemistry studies.
What is the band gap of Li4SeO5?
Li4SeO5 has a DFT-computed band gap of 2.44 eV across 5 reported structures.
Is Li4SeO5 a metal, semiconductor, or insulator?
With a band gap up to 2.44 eV it is a semiconductor.
Is Li4SeO5 thermodynamically stable?
Yes — Li4SeO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li4SeO5 are known?
5 structures of Li4SeO5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4SeO5 contain?
Li4SeO5 contains Li, O, and Se (3 elements).
Where does the data for Li4SeO5 come from?
Li4SeO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are characterized by their electrochemical activity in battery systems, Li4SeO5 serves as a more specialized member of the lithium oxide class. While compounds like Li2O represent the fundamental binary oxide, Li4SeO5 demonstrates the complex structural possibilities that arise when incorporating selenium into the lithium-oxygen framework.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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