MgH12SO9

MgH12SO9 is a wide-gap insulating inorganic compound that is theoretically stable enough to be a target for laboratory synthesis.

HMgOS
Crystal structure of MgH12SO9
Ground-state structure · Materials Project
Overview

About MgH12SO9

MgH12SO9 is a complex inorganic compound characterized by its wide-gap insulating electronic structure. Its composition suggests a unique arrangement of hydrogen, magnesium, sulfur, and oxygen, positioning it as a material of interest for fundamental structural research.

Due to its position near the thermodynamic hull, this compound is considered a strong candidate for experimental synthesis. The presence of multiple reported structural configurations across databases highlights its significance as a subject for ongoing materials discovery and characterization efforts.

At a glance

Key Properties

Cross-validated computational properties for MgH12SO9, aggregated across 3 databases.

Band Gap

3.67–4.96 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where MgH12SO9 is used.

Fundamental materials researchSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about MgH12SO9, answered from cross-validated data.

What is MgH12SO9?

MgH12SO9 is a wide-gap insulating inorganic compound that is theoretically stable enough to be a target for laboratory synthesis.

More questions
What is MgH12SO9 used for?
MgH12SO9 is used in fundamental materials research and solid-state chemistry exploration.
What is the band gap of MgH12SO9?
MgH12SO9 has a DFT-computed band gap of 3.67–4.96 eV across 7 reported structures.
Is MgH12SO9 a metal, semiconductor, or insulator?
With a wide band gap up to 4.96 eV it is an insulator / wide-band-gap material.
Is MgH12SO9 thermodynamically stable?
MgH12SO9 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of MgH12SO9 are known?
7 structures of MgH12SO9 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgH12SO9 contain?
MgH12SO9 contains H, Mg, O, and S (4 elements).
Where does the data for MgH12SO9 come from?
MgH12SO9 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound currently categorized without direct structural siblings in this specific dataset, MgH12SO9 serves as a distinct reference point for exploring the stability and electronic properties of complex magnesium-sulfur-oxygen-hydrogen systems.

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

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