Li3BO3

Lithium orthoborate · trilithium borate

Lithium orthoborate is a stable, insulating lithium oxide compound used in materials research.

Crystal structure of Li3BO3
Ground-state structure · Materials Project
Overview

About Lithium orthoborate

Lithium orthoborate is a thermodynamically stable member of the lithium oxide class. As a wide-band-gap insulator, it exhibits robust structural integrity, making it a subject of interest for fundamental materials science studies where chemical stability is paramount. The compound is characterized by multiple reported structural phases across major databases, reflecting its complex coordination environment. Its insulating nature and stability suggest potential utility in specialized electrochemical or ceramic applications where electronic transport must be strictly limited. By serving as a stable host or additive, it contributes to the broader understanding of lithium-based oxide systems.

At a glance

Key Properties

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

Band Gap

5.15 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 Lithium orthoborate is used.

Solid-state electrolyte researchCeramic material additiveFundamental materials science
Reference

Frequently Asked Questions

Common questions about Lithium orthoborate, answered from cross-validated data.

What is Li3BO3?

Lithium orthoborate is a stable, insulating lithium oxide compound used in materials research.

More questions
What is Li3BO3 used for?
Lithium orthoborate (Li3BO3) is used in solid-state electrolyte research, ceramic material additive, and fundamental materials science.
What is the band gap of Li3BO3?
Lithium orthoborate (Li3BO3) has a DFT-computed band gap of 5.15 eV across 5 reported structures.
Is Li3BO3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.15 eV it is an insulator / wide-band-gap material.
Is Li3BO3 thermodynamically stable?
Yes — Lithium orthoborate (Li3BO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3BO3 are known?
5 structures of Li3BO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3BO3 contain?
Lithium orthoborate (Li3BO3) contains B, Li, and O (3 elements).
Where does the data for Li3BO3 come from?
Li3BO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition metal-based members of the lithium oxide class such as LiCoO2, LiNiO2, or LiMn2O4, which are primarily valued for their redox-active electronic properties in battery cathodes, Li3BO3 is a wide-gap insulator. While compounds like Li2O serve as fundamental building blocks, Li3BO3 offers a distinct structural framework that lacks the metallic character found in the more conductive members of the family.

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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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