LiBiO2

LiBiO2 is a thermodynamically stable lithium-bismuth oxide that functions as a semiconductor.

Crystal structure of LiBiO2
Ground-state structure · Materials Project
Overview

About LiBiO2

LiBiO2 is a thermodynamically stable member of the lithium oxide family. As a semiconducting material, it exhibits distinct electronic behavior that differentiates it from more common insulating oxides, making it a subject of interest for fundamental materials science studies.

With numerous reported structures, this compound demonstrates significant structural diversity. Its stability on the convex hull suggests it is a robust phase, providing a reliable platform for exploring the interplay between lithium, bismuth, and oxygen in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for LiBiO2, aggregated across 3 databases.

Band Gap

0.77–2.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 7 space groups
Uses

Applications

Where LiBiO2 is used.

Solid-state materials researchSemiconductor device studiesFundamental crystallographic analysis
Reference

Frequently Asked Questions

Common questions about LiBiO2, answered from cross-validated data.

What is LiBiO2?

LiBiO2 is a thermodynamically stable lithium-bismuth oxide that functions as a semiconductor.

More questions
What is LiBiO2 used for?
LiBiO2 is used in solid-state materials research, semiconductor device studies, and fundamental crystallographic analysis.
What is the band gap of LiBiO2?
LiBiO2 has a DFT-computed band gap of 0.77–2.52 eV across 14 reported structures.
Is LiBiO2 a metal, semiconductor, or insulator?
With a band gap up to 2.52 eV it is a semiconductor.
Is LiBiO2 thermodynamically stable?
Yes — LiBiO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiBiO2 are known?
14 structures of LiBiO2 are reported across 3 databases, spanning 7 distinct space groups.
What elements does LiBiO2 contain?
LiBiO2 contains Bi, Li, and O (3 elements).
Where does the data for LiBiO2 come from?
LiBiO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials in this class, such as LiCoO2 or LiNiO2, which are primarily valued for their electrochemical performance in energy storage, LiBiO2 is characterized by its specific semiconducting nature. While siblings like Li2O serve as fundamental binary oxides, LiBiO2 offers a more complex structural landscape, positioning it as a specialized candidate for research into electronic and optical properties rather than traditional battery cycling.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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