Li4B2O5

Li4B2O5 is a metastable, wide-gap insulating lithium borate oxide used primarily in fundamental materials research.

Crystal structure of Li4B2O5
Ground-state structure · Materials Project
Overview

About Li4B2O5

Li4B2O5 is a lithium-rich oxide characterized by its wide-gap insulating nature. It exists as a metastable phase within the broader family of lithium-based oxides, offering researchers a unique look at structural diversity in borate-containing frameworks.

Because of its distinct electronic properties, this compound serves as a subject of interest in materials science research. It is primarily utilized in fundamental studies to understand the phase stability and structural evolution of lithium-containing oxides under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for Li4B2O5, aggregated across 3 databases.

Band Gap

4.92–5.03 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Li4B2O5 is used.

Fundamental materials science researchStructural phase stability studies
Reference

Frequently Asked Questions

Common questions about Li4B2O5, answered from cross-validated data.

What is Li4B2O5?

Li4B2O5 is a metastable, wide-gap insulating lithium borate oxide used primarily in fundamental materials research.

More questions
What is Li4B2O5 used for?
Li4B2O5 is used in fundamental materials science research and structural phase stability studies.
What is the band gap of Li4B2O5?
Li4B2O5 has a DFT-computed band gap of 4.92–5.03 eV across 10 reported structures.
Is Li4B2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 5.03 eV it is an insulator / wide-band-gap material.
Is Li4B2O5 thermodynamically stable?
Li4B2O5 has a lowest energy above hull of 0.046 eV/atom (metastable).
How many polymorphs of Li4B2O5 are known?
10 structures of Li4B2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4B2O5 contain?
Li4B2O5 contains B, Li, and O (3 elements).
Where does the data for Li4B2O5 come from?
Li4B2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the commercially prominent cathode materials in its class such as LiCoO2, LiMn2O4, and LiNiO2, which are valued for their electrochemical activity, Li4B2O5 is a metastable insulator. It shares more structural commonalities with complex lithium silicates like Li4SiO4, focusing on ionic mobility and structural stability rather than the redox-active behavior found in transition-metal-based lithium 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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