Na4TiO4

Na4TiO4 is a stable, insulating layered sodium transition-metal oxide used in advanced materials research for energy storage applications.

Crystal structure of Na4TiO4
Ground-state structure · Materials Project
Overview

About Na4TiO4

Na4TiO4 is a member of the layered sodium transition-metal oxide family, characterized by its status as a thermodynamically stable phase located on the convex hull. As a wide-gap insulator, it represents a distinct electronic configuration within this chemical class, drawing significant interest for its structural integrity and potential in electrochemical systems.

Its importance lies in its role as a stable host material, which is essential for the development of advanced energy storage technologies. Researchers study this compound to understand how its specific atomic arrangement influences ionic transport and stability, providing a foundation for future battery electrode designs.

At a glance

Key Properties

Cross-validated computational properties for Na4TiO4, aggregated across 3 databases.

Band Gap

3.24–3.32 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Na4TiO4 is used.

Sodium-ion battery researchElectrode material developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Na4TiO4, answered from cross-validated data.

What is Na4TiO4?

Na4TiO4 is a stable, insulating layered sodium transition-metal oxide used in advanced materials research for energy storage applications.

More questions
What is Na4TiO4 used for?
Na4TiO4 is used in sodium-ion battery research, electrode material development, and solid-state ionics.
What is the band gap of Na4TiO4?
Na4TiO4 has a DFT-computed band gap of 3.24–3.32 eV across 10 reported structures.
Is Na4TiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.32 eV it is an insulator / wide-band-gap material.
Is Na4TiO4 thermodynamically stable?
Yes — Na4TiO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na4TiO4 are known?
10 structures of Na4TiO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na4TiO4 contain?
Na4TiO4 contains Na, O, and Ti (3 elements).
Where does the data for Na4TiO4 come from?
Na4TiO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered sodium transition-metal oxides class.

Within the broader family of layered sodium transition-metal oxides, Na4TiO4 stands out for its specific stoichiometry compared to more common members like NaCoO2 or NaFeO2. While many siblings in this class are widely utilized for their conductive properties, Na4TiO4 is distinguished by its insulating nature, offering a unique structural alternative to the more frequently studied titanates like Na2Ti3O7.

Explore

Related Compounds

Other Layered Sodium Transition-Metal Oxides in the database.

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

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