Ca3MnO4

Ca3MnO4 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical energy conversion.

Crystal structure of Ca3MnO4
Ground-state structure · Materials Project
Overview

About Ca3MnO4

Ca3MnO4 is a semiconducting oxide that functions within the specialized class of oxygen-evolution catalysts. Its unique structural arrangement makes it a subject of interest for researchers investigating efficient water-splitting technologies and electrochemical energy conversion systems. As a metastable phase, this compound offers distinct reactivity profiles compared to more common, highly stable oxides. Its electronic character positions it as a candidate for exploring charge-transfer mechanisms essential for catalytic activity in various energy-related applications.

At a glance

Key Properties

Cross-validated computational properties for Ca3MnO4, aggregated across 3 databases.

Band Gap

2.84–2.91 eV
Range across DFT structures

Energy Above Hull

0.031 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Ca3MnO4 is used.

Oxygen-evolution catalysisElectrochemical water splittingEnergy conversion research
Reference

Frequently Asked Questions

Common questions about Ca3MnO4, answered from cross-validated data.

What is Ca3MnO4?

Ca3MnO4 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical energy conversion.

More questions
What is Ca3MnO4 used for?
Ca3MnO4 is used in oxygen-evolution catalysis, electrochemical water splitting, and energy conversion research.
What is the band gap of Ca3MnO4?
Ca3MnO4 has a DFT-computed band gap of 2.84–2.91 eV across 10 reported structures.
Is Ca3MnO4 a metal, semiconductor, or insulator?
With a band gap up to 2.91 eV it is a semiconductor.
Is Ca3MnO4 thermodynamically stable?
Ca3MnO4 has a lowest energy above hull of 0.031 eV/atom (metastable).
How many polymorphs of Ca3MnO4 are known?
10 structures of Ca3MnO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca3MnO4 contain?
Ca3MnO4 contains Ca, Mn, and O (3 elements).
Where does the data for Ca3MnO4 come from?
Ca3MnO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse family of oxygen-evolution catalysts, Ca3MnO4 occupies a niche position compared to well-established industrial standards like LiCoO2 or LaMnO3. While many of its siblings are characterized by high thermodynamic stability and widespread use in battery cathodes or perovskite-based catalysis, Ca3MnO4 is notable for its metastable nature, which may offer unique pathways for surface-active oxygen evolution that are not accessible in more rigid, stable structures.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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