Mg4H2O5

Mg4H2O5 is a wide-gap insulating magnesium compound that is theoretically predicted to be stable enough for potential laboratory synthesis.

HMgO
Crystal structure of Mg4H2O5
Ground-state structure · Materials Project
Overview

About Mg4H2O5

Mg4H2O5 is a complex magnesium-based compound characterized by its wide-gap insulating electronic structure. Its composition of magnesium, oxygen, and hydrogen places it in a unique structural category that has garnered interest for its potential stability and synthesis pathways.

As a near-hull material, this compound is considered a promising candidate for experimental realization. Its structural properties are currently being mapped across multiple databases, highlighting its role as a subject of interest in modern materials discovery and fundamental solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Mg4H2O5, aggregated across 3 databases.

Band Gap

4.01 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Mg4H2O5 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Mg4H2O5, answered from cross-validated data.

What is Mg4H2O5?

Mg4H2O5 is a wide-gap insulating magnesium compound that is theoretically predicted to be stable enough for potential laboratory synthesis.

More questions
What is Mg4H2O5 used for?
Mg4H2O5 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Mg4H2O5?
Mg4H2O5 has a DFT-computed band gap of 4.01 eV across 5 reported structures.
Is Mg4H2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.01 eV it is an insulator / wide-band-gap material.
Is Mg4H2O5 thermodynamically stable?
Mg4H2O5 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
How many polymorphs of Mg4H2O5 are known?
5 structures of Mg4H2O5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg4H2O5 contain?
Mg4H2O5 contains H, Mg, and O (3 elements).
Where does the data for Mg4H2O5 come from?
Mg4H2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry within its class, Mg4H2O5 serves as a foundational example of magnesium-based hydrogen-oxygen systems. It stands as a distinct structural study, providing insights into the stability of insulating compounds that do not fall into traditional, well-defined material categories.

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

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