LiNiBO3

LiNiBO3 is a metastable, insulating lithium transition-metal borate oxide used primarily in experimental energy storage research.

Crystal structure of LiNiBO3
Ground-state structure · Materials Project
Overview

About LiNiBO3

LiNiBO3 is a member of the layered lithium transition-metal oxide family, characterized by its wide-gap insulating electronic structure. As a metastable compound, it represents a unique structural configuration within the borate-modified oxide landscape, offering researchers a distinct alternative to traditional cathode frameworks.

This material is primarily utilized in academic and industrial exploration of lithium-ion battery chemistries. Its specific atomic arrangement and stability profile make it an interesting subject for studying ion mobility and structural phase transitions in energy storage applications.

At a glance

Key Properties

Cross-validated computational properties for LiNiBO3, aggregated across 3 databases.

Band Gap

2.41–3.65 eV
Range across DFT structures

Energy Above Hull

0.027 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

22
3 databases, 5 space groups
Uses

Applications

Where LiNiBO3 is used.

Lithium-ion battery researchCathode material developmentSolid-state ionics study
Reference

Frequently Asked Questions

Common questions about LiNiBO3, answered from cross-validated data.

What is LiNiBO3?

LiNiBO3 is a metastable, insulating lithium transition-metal borate oxide used primarily in experimental energy storage research.

More questions
What is LiNiBO3 used for?
LiNiBO3 is used in lithium-ion battery research, cathode material development, and solid-state ionics study.
What is the band gap of LiNiBO3?
LiNiBO3 has a DFT-computed band gap of 2.41–3.65 eV across 22 reported structures.
Is LiNiBO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.65 eV it is an insulator / wide-band-gap material.
Is LiNiBO3 thermodynamically stable?
LiNiBO3 has a lowest energy above hull of 0.027 eV/atom (metastable).
How many polymorphs of LiNiBO3 are known?
22 structures of LiNiBO3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does LiNiBO3 contain?
LiNiBO3 contains B, Li, Ni, and O (4 elements).
Where does the data for LiNiBO3 come from?
LiNiBO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broader class of layered lithium transition-metal oxides, LiNiBO3 occupies a distinct niche compared to well-established commercial materials like LiCoO2 or LiNiO2. While those siblings are primarily optimized for high-capacity electrochemical cycling, LiNiBO3 serves as a specialized structural variant that challenges standard design paradigms for transition-metal-based energy storage.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

Analyze LiNiBO3 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →