MgNiO2

MgNiO2 is a wide-gap insulating oxide catalyst that is theoretically stable and holds potential for use in electrochemical oxygen-evolution processes.

Crystal structure of MgNiO2
Ground-state structure · Materials Project
Overview

About MgNiO2

MgNiO2 is a complex oxide belonging to the oxygen-evolution catalyst class. Characterized by its wide-band-gap insulating nature, this material represents a significant area of study for researchers looking to optimize catalytic performance in electrochemical systems.

As a near-hull phase with multiple reported structures across databases, it is considered a viable candidate for synthesis. Its structural stability and electronic properties make it a compelling subject for those investigating the fundamental mechanisms of oxygen evolution and energy conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for MgNiO2, aggregated across 4 databases.

Band Gap

0.05–3.40 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
3 DFT sources

Structures

38
4 databases, 17 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MgNiO2.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where MgNiO2 is used.

Oxygen-evolution catalysisElectrochemical researchEnergy conversion material development
Reference

Frequently Asked Questions

Common questions about MgNiO2, answered from cross-validated data.

What is MgNiO2?

MgNiO2 is a wide-gap insulating oxide catalyst that is theoretically stable and holds potential for use in electrochemical oxygen-evolution processes.

More questions
What is MgNiO2 used for?
MgNiO2 is used in oxygen-evolution catalysis, electrochemical research, and energy conversion material development.
What is the band gap of MgNiO2?
MgNiO2 has a DFT-computed band gap of 0.05–3.40 eV across 38 reported structures.
Is MgNiO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.40 eV it is an insulator / wide-band-gap material.
Is MgNiO2 thermodynamically stable?
MgNiO2 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of MgNiO2 are known?
38 structures of MgNiO2 are reported across 4 databases, spanning 17 distinct space groups.
How is MgNiO2 synthesized?
Literature-reported routes for MgNiO2 include solid state (3 procedures documented).
What elements does MgNiO2 contain?
MgNiO2 contains Mg, Ni, and O (3 elements).
Where does the data for MgNiO2 come from?
MgNiO2 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, MgNiO2 occupies a distinct position compared to more metallic or highly conductive members like LaNiO3 or LaMnO3. While compounds such as NiO are foundational to the class, MgNiO2 offers a unique insulating profile that contrasts with the more common lithium-based intercalation oxides like LiNiO2 or LiCoO2, positioning it as a specialized material for targeted catalytic applications.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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