Mg2Ni3O8

Mg2Ni3O8 is a metastable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis.

Crystal structure of Mg2Ni3O8
Ground-state structure · Materials Project
Overview

About Mg2Ni3O8

Mg2Ni3O8 is a semiconducting oxide that functions as a catalyst for oxygen-evolution reactions. Its unique structural arrangement within the oxide family makes it a subject of interest for researchers seeking to optimize electrochemical performance in energy conversion systems. As a metastable phase, this compound offers distinct electronic properties that differentiate it from more conventional, highly stable oxide catalysts. Its existence across multiple reported structures highlights its potential for structural tuning in catalytic applications.

At a glance

Key Properties

Cross-validated computational properties for Mg2Ni3O8, aggregated across 3 databases.

Band Gap

0.47–1.20 eV
Range across DFT structures

Energy Above Hull

0.066 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Mg2Ni3O8 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Mg2Ni3O8, answered from cross-validated data.

What is Mg2Ni3O8?

Mg2Ni3O8 is a metastable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis.

More questions
What is Mg2Ni3O8 used for?
Mg2Ni3O8 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Mg2Ni3O8?
Mg2Ni3O8 has a DFT-computed band gap of 0.47–1.20 eV across 9 reported structures.
Is Mg2Ni3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.20 eV it is a semiconductor.
Is Mg2Ni3O8 thermodynamically stable?
Mg2Ni3O8 has a lowest energy above hull of 0.066 eV/atom (metastable).
How many polymorphs of Mg2Ni3O8 are known?
9 structures of Mg2Ni3O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mg2Ni3O8 contain?
Mg2Ni3O8 contains Mg, Ni, and O (3 elements).
Where does the data for Mg2Ni3O8 come from?
Mg2Ni3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

While common catalysts like NiO and LiCoO2 are widely utilized for their thermodynamic stability and well-understood behavior, Mg2Ni3O8 represents a more complex, metastable alternative. Unlike the perovskite-structured LaNiO3 or LaMnO3, which are frequently studied for their robust electronic conductivity, this magnesium-nickel oxide provides a different structural pathway for oxygen evolution that may offer unique surface reactivity.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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