LiNbNiO4

LiNbNiO4 is a stable, wide-gap insulating layered oxide that serves as a research material for exploring new lithium-based electrochemical systems.

Crystal structure of LiNbNiO4
Ground-state structure · Materials Project
Overview

About LiNbNiO4

LiNbNiO4 belongs to the class of layered lithium transition-metal oxides, a group of materials central to the development of modern electrochemical energy storage. As a wide-gap insulator, it exhibits distinct electronic properties that differentiate it from the more conductive metallic oxides typically utilized in battery cathodes.

This compound is characterized by its near-hull thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis and structural characterization. Its presence in multiple materials databases highlights its growing importance as researchers explore novel chemical spaces within the layered oxide framework.

At a glance

Key Properties

Cross-validated computational properties for LiNbNiO4, aggregated across 3 databases.

Band Gap

1.65–3.49 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where LiNbNiO4 is used.

Electrochemical researchMaterials science modelingSolid-state ionics investigation
Reference

Frequently Asked Questions

Common questions about LiNbNiO4, answered from cross-validated data.

What is LiNbNiO4?

LiNbNiO4 is a stable, wide-gap insulating layered oxide that serves as a research material for exploring new lithium-based electrochemical systems.

More questions
What is LiNbNiO4 used for?
LiNbNiO4 is used in electrochemical research, materials science modeling, and solid-state ionics investigation.
What is the band gap of LiNbNiO4?
LiNbNiO4 has a DFT-computed band gap of 1.65–3.49 eV across 10 reported structures.
Is LiNbNiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.49 eV it is an insulator / wide-band-gap material.
Is LiNbNiO4 thermodynamically stable?
LiNbNiO4 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of LiNbNiO4 are known?
10 structures of LiNbNiO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiNbNiO4 contain?
LiNbNiO4 contains Li, Nb, Ni, and O (4 elements).
Where does the data for LiNbNiO4 come from?
LiNbNiO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the widely commercialized LiCoO2 or LiNiO2, which are prized for their high capacity and metallic conductivity, LiNbNiO4 occupies a niche as a wider-gap material. Its structural complexity and stability profile suggest it may serve as a functional additive or a model system for understanding ion transport in insulating layered oxides compared to the more common LiMn2O4 or LiMnO2.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

Analyze LiNbNiO4 in the Lattice Graph platform

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

Explore the Platform →