Mg2Mn2O6

Mg2Mn2O6 is a stable, semiconducting oxide material utilized in the development of advanced oxygen-evolution catalysts for electrochemical energy applications.

Crystal structure of Mg2Mn2O6 (trigonal, R-3 (No. 148))
Ground-state structure · Materials Project
Overview

About Mg2Mn2O6

Mg2Mn2O6 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst class, it provides a robust framework for investigating electrochemical processes where efficient charge transfer and structural integrity are paramount.

This compound is primarily studied for its potential in catalytic applications, particularly in water-splitting technologies. Its semiconducting nature allows for tunable electronic properties, making it a subject of interest for researchers aiming to optimize the efficiency of oxygen production in clean energy systems.

At a glance

Key Properties

Cross-validated computational properties for Mg2Mn2O6, aggregated across 3 databases.

Band Gap

0.63 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mg2Mn2O6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal0.000.0000-7.4934.39
Pnma (No. 62)orthorhombic0.630.0767-7.4164.42
Pm-3m (No. 221)cubic0.000.4902-7.0034.05
3.00
R-3c (No. 167)
R3c (No. 161)
R3c (No. 161)
Fmmm (No. 69)
R-3 (No. 148)
R-3 (No. 148)
R3c (No. 161)
R3c (No. 161)
Uses

Applications

Where Mg2Mn2O6 is used.

Oxygen-evolution catalysisWater-splitting researchElectrochemical energy conversion
Reference

Frequently Asked Questions

Common questions about Mg2Mn2O6, answered from cross-validated data.

What is Mg2Mn2O6?

Mg2Mn2O6 is a stable, semiconducting oxide material utilized in the development of advanced oxygen-evolution catalysts for electrochemical energy applications.

More questions
What is Mg2Mn2O6 used for?
Mg2Mn2O6 is used in oxygen-evolution catalysis, water-splitting research, and electrochemical energy conversion.
What is the band gap of Mg2Mn2O6?
Mg2Mn2O6 has a DFT-computed band gap of 0.63 eV across 14 reported structures.
Is Mg2Mn2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Mg2Mn2O6 thermodynamically stable?
Yes — Mg2Mn2O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg2Mn2O6?
The lowest-energy reported polymorph of Mg2Mn2O6 is trigonal symmetry, space group R-3 (No. 148).
What is the density of Mg2Mn2O6?
The computed density of the ground-state structure of Mg2Mn2O6 is 4.39 g/cm³.
How many polymorphs of Mg2Mn2O6 are known?
14 structures of Mg2Mn2O6 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Mg2Mn2O6 contain?
Mg2Mn2O6 contains Mg, Mn, and O (3 elements).
Where does the data for Mg2Mn2O6 come from?
Mg2Mn2O6 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse family of oxygen-evolution catalysts, Mg2Mn2O6 distinguishes itself from transition-metal-heavy counterparts like LiMn2O4 and LaMnO3 by its specific magnesium-manganese stoichiometry. While many siblings in this class rely on complex rare-earth or heavy-metal frameworks, this compound offers a simpler, stable oxide architecture that serves as a valuable baseline for comparing catalytic performance against more traditional catalysts like NiO.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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