MgH2

Magnesium hydride · Magnesium dihydride

Magnesium hydride is a stable, insulating inorganic compound widely researched for its potential to store large quantities of hydrogen in a solid state.

Crystal structure of MgH2
Ground-state structure · Materials Project
Overview

About Magnesium hydride

Magnesium hydride is a thermodynamically stable binary hydride that serves as a cornerstone in the study of hydrogen storage materials. As a wide-band-gap insulator, it possesses a high hydrogen density, making it a subject of extensive structural investigation across numerous experimental and computational databases.

Its significance lies in its potential for high-capacity hydrogen sequestration, where its stability is both a benefit for safety and a challenge for kinetic release. Researchers frequently utilize this compound to understand the fundamental mechanisms governing solid-state hydrogen storage systems.

At a glance

Key Properties

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

Band Gap

1.95–3.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

61
3 databases, 17 space groups
Uses

Applications

Where Magnesium hydride is used.

Hydrogen storage systemsEnergy storage researchReducing agents in chemical synthesis
Intellectual Property

Patent Landscape

1 patent reference MgH2 or close compositional variants.

PatentTitleAssigneeGranted
9828245Method of synthesizing MgH2/Ni nanocomposites
Reference

Frequently Asked Questions

Common questions about Magnesium hydride, answered from cross-validated data.

What is MgH2?

Magnesium hydride is a stable, insulating inorganic compound widely researched for its potential to store large quantities of hydrogen in a solid state.

More questions
What is MgH2 used for?
Magnesium hydride (MgH2) is used in hydrogen storage systems, energy storage research, and reducing agents in chemical synthesis.
What is the band gap of MgH2?
Magnesium hydride (MgH2) has a DFT-computed band gap of 1.95–3.71 eV across 61 reported structures.
Is MgH2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.71 eV it is an insulator / wide-band-gap material.
Is MgH2 thermodynamically stable?
Yes — Magnesium hydride (MgH2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MgH2 are known?
61 structures of MgH2 are reported across 3 databases, spanning 17 distinct space groups.
What elements does MgH2 contain?
Magnesium hydride (MgH2) contains H and Mg (2 elements).
Where does the data for MgH2 come from?
MgH2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Within the class of hydrogen storage hydrides, MgH2 is distinguished by its robust thermodynamic stability compared to more reactive or volatile counterparts like BH3 or AlH3. While simple ionic hydrides such as LiH or CaH2 often exhibit different bonding characteristics, MgH2 occupies a unique niche due to its favorable weight-to-hydrogen ratio and its status as one of the most thoroughly documented materials in the field.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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