Li3BiO3

Li3BiO3 is a stable, insulating ternary lithium oxide used in materials science research.

Crystal structure of Li3BiO3
Ground-state structure · Materials Project
Overview

About Li3BiO3

Li3BiO3 is a thermodynamically stable lithium oxide that exists as a wide-gap insulator. Its structural integrity on the convex hull makes it a subject of significant interest within the broader family of lithium-based ceramics.

Researchers utilize this compound to investigate ionic transport and structural variations in complex oxides. Its status as a well-documented material across multiple databases highlights its importance in fundamental solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Li3BiO3, aggregated across 3 databases.

Band Gap

2.44–3.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 4 space groups
Uses

Applications

Where Li3BiO3 is used.

Solid-state chemistry researchCeramic material developmentFundamental structural studies
Reference

Frequently Asked Questions

Common questions about Li3BiO3, answered from cross-validated data.

What is Li3BiO3?

Li3BiO3 is a stable, insulating ternary lithium oxide used in materials science research.

More questions
What is Li3BiO3 used for?
Li3BiO3 is used in solid-state chemistry research, ceramic material development, and fundamental structural studies.
What is the band gap of Li3BiO3?
Li3BiO3 has a DFT-computed band gap of 2.44–3.04 eV across 12 reported structures.
Is Li3BiO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is Li3BiO3 thermodynamically stable?
Yes — Li3BiO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3BiO3 are known?
12 structures of Li3BiO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li3BiO3 contain?
Li3BiO3 contains Bi, Li, and O (3 elements).
Where does the data for Li3BiO3 come from?
Li3BiO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the electrochemically active cathode materials in its class, such as LiCoO2 or LiNiO2, Li3BiO3 functions primarily as a stable insulating oxide. While siblings like Li2O serve as fundamental binary references, Li3BiO3 represents a more complex ternary arrangement that offers distinct structural stability compared to the transition-metal-heavy members of the group.

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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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