Li2TiNi2O5

Li2TiNi2O5 is a metastable semiconducting lithium transition-metal oxide investigated for its role in next-generation battery electrode research.

Crystal structure of Li2TiNi2O5
Ground-state structure · Materials Project
Overview

About Li2TiNi2O5

Li2TiNi2O5 belongs to the class of layered lithium transition-metal oxides, characterized by a complex arrangement of lithium, titanium, nickel, and oxygen atoms. It exhibits semiconducting electronic behavior, which is a critical factor for its potential integration into electrochemical energy storage systems.

As a metastable phase, this compound represents a unique structural configuration within the lithium-ion battery material landscape. Its existence across multiple reported structures highlights its scientific interest as researchers explore alternative cathode architectures beyond conventional transition-metal oxides.

At a glance

Key Properties

Cross-validated computational properties for Li2TiNi2O5, aggregated across 3 databases.

Band Gap

0.01–2.17 eV
Range across DFT structures

Energy Above Hull

0.039 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

20
3 databases, 3 space groups
Uses

Applications

Where Li2TiNi2O5 is used.

Lithium-ion battery researchElectrochemical energy storage developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li2TiNi2O5, answered from cross-validated data.

What is Li2TiNi2O5?

Li2TiNi2O5 is a metastable semiconducting lithium transition-metal oxide investigated for its role in next-generation battery electrode research.

More questions
What is Li2TiNi2O5 used for?
Li2TiNi2O5 is used in lithium-ion battery research, electrochemical energy storage development, and solid-state ionics.
What is the band gap of Li2TiNi2O5?
Li2TiNi2O5 has a DFT-computed band gap of 0.01–2.17 eV across 20 reported structures.
Is Li2TiNi2O5 a metal, semiconductor, or insulator?
With a band gap up to 2.17 eV it is a semiconductor.
Is Li2TiNi2O5 thermodynamically stable?
Li2TiNi2O5 has a lowest energy above hull of 0.039 eV/atom (metastable).
How many polymorphs of Li2TiNi2O5 are known?
20 structures of Li2TiNi2O5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2TiNi2O5 contain?
Li2TiNi2O5 contains Li, Ni, O, and Ti (4 elements).
Where does the data for Li2TiNi2O5 come from?
Li2TiNi2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Compared to widely commercialized layered oxides like LiCoO2 and LiNiO2, Li2TiNi2O5 occupies a more specialized niche as a metastable candidate. While traditional materials like LiNiO2 are optimized for high-capacity cycling, this compound offers a distinct structural framework that differentiates it from the spinel-like behavior seen in LiMn2O4 or the layered complexity of Li2MnO3.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

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