Mn1O3S1

Mn1O3S1 is a metastable, insulating oxide-sulfide material investigated for its potential role in oxygen-evolution catalytic processes.

Crystal structure of Mn1O3S1
Ground-state structure · Materials Project
Overview

About Mn1O3S1

Mn1O3S1 is a complex oxide-sulfide material categorized within the broader family of oxygen-evolution catalysts. As a wide-band-gap insulator, it exhibits distinct electronic properties that differentiate it from typical metallic or semiconducting catalysts used in energy conversion processes.

Because this compound is characterized as metastable, it represents a unique target for synthetic exploration and materials design. Its specific structural configuration provides a platform for investigating how sulfur-oxygen coordination influences catalytic activity in electrochemical environments.

At a glance

Key Properties

Cross-validated computational properties for Mn1O3S1, aggregated across 3 databases.

Band Gap

3.34–4.15 eV
Range across DFT structures

Energy Above Hull

0.072 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 4 space groups
Uses

Applications

Where Mn1O3S1 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Mn1O3S1, answered from cross-validated data.

What is Mn1O3S1?

Mn1O3S1 is a metastable, insulating oxide-sulfide material investigated for its potential role in oxygen-evolution catalytic processes.

More questions
What is Mn1O3S1 used for?
Mn1O3S1 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Mn1O3S1?
Mn1O3S1 has a DFT-computed band gap of 3.34–4.15 eV across 4 reported structures.
Is Mn1O3S1 a metal, semiconductor, or insulator?
With a wide band gap up to 4.15 eV it is an insulator / wide-band-gap material.
Is Mn1O3S1 thermodynamically stable?
Mn1O3S1 has a lowest energy above hull of 0.072 eV/atom (metastable).
How many polymorphs of Mn1O3S1 are known?
4 structures of Mn1O3S1 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Mn1O3S1 contain?
Mn1O3S1 contains Mn, O, and S (3 elements).
Where does the data for Mn1O3S1 come from?
Mn1O3S1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized perovskite oxides such as LaMnO3 or LiCoO2, Mn1O3S1 occupies a more niche position due to its metastable nature and insulating behavior. While materials like NiO are standard benchmarks in oxygen-evolution catalysis, Mn1O3S1 offers a different structural framework that challenges conventional design rules for conductive catalytic surfaces.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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