Na3FeO4

Na3FeO4 is a semiconducting layered sodium transition-metal oxide that is considered a promising candidate for advanced electrochemical applications.

Crystal structure of Na3FeO4
Ground-state structure · Materials Project
Overview

About Na3FeO4

Na3FeO4 belongs to the class of layered sodium transition-metal oxides, a group of materials widely investigated for their role in electrochemical energy storage. As a semiconducting compound, it exhibits electronic properties that are of significant interest for optimizing ion transport and charge transfer in solid-state systems.

This material is characterized by its near-hull thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis and further characterization. With a substantial body of reported structures across multiple databases, it remains a focal point for researchers aiming to understand the structural diversity of sodium-based oxides.

At a glance

Key Properties

Cross-validated computational properties for Na3FeO4, aggregated across 3 databases.

Band Gap

0.15–0.71 eV
Range across DFT structures

Energy Above Hull

0.020 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

24
3 databases, 6 space groups
Uses

Applications

Where Na3FeO4 is used.

Battery electrode researchSolid-state ionicsMaterials science research
Reference

Frequently Asked Questions

Common questions about Na3FeO4, answered from cross-validated data.

What is Na3FeO4?

Na3FeO4 is a semiconducting layered sodium transition-metal oxide that is considered a promising candidate for advanced electrochemical applications.

More questions
What is Na3FeO4 used for?
Na3FeO4 is used in battery electrode research, solid-state ionics, and materials science research.
What is the band gap of Na3FeO4?
Na3FeO4 has a DFT-computed band gap of 0.15–0.71 eV across 24 reported structures.
Is Na3FeO4 a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is Na3FeO4 thermodynamically stable?
Na3FeO4 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
How many polymorphs of Na3FeO4 are known?
24 structures of Na3FeO4 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Na3FeO4 contain?
Na3FeO4 contains Fe, Na, and O (3 elements).
Where does the data for Na3FeO4 come from?
Na3FeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered sodium transition-metal oxides class.

Within the diverse family of layered sodium transition-metal oxides, Na3FeO4 occupies a distinct niche compared to more common members like NaFeO2 or NaCoO2. While many of its siblings are heavily utilized in commercial battery architectures, Na3FeO4 represents a more specialized structural variant that offers unique insights into the coordination environments of iron within sodium-rich oxide frameworks.

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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