MgS2

MgS2 is a thermodynamically stable semiconducting compound composed of magnesium and sulfur.

MgS
Crystal structure of MgS2
Ground-state structure · Materials Project
Overview

About MgS2

MgS2 is a thermodynamically stable magnesium sulfide compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that distinguish it from simpler binary sulfides. Its high degree of structural diversity, evidenced by numerous reported configurations, makes it a subject of interest for fundamental materials research. The compound represents a stable phase within the magnesium-sulfur system, providing a foundation for exploring complex chalcogenide chemistry. Its potential utility stems from its ability to maintain stability while offering tunable electronic characteristics suitable for specialized technological applications.

At a glance

Key Properties

Cross-validated computational properties for MgS2, aggregated across 3 databases.

Band Gap

1.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

127
3 databases, 24 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MgS2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where MgS2 is used.

Materials science researchSemiconductor developmentChalcogenide studies
Reference

Frequently Asked Questions

Common questions about MgS2, answered from cross-validated data.

What is MgS2?

MgS2 is a thermodynamically stable semiconducting compound composed of magnesium and sulfur.

More questions
What is MgS2 used for?
MgS2 is used in materials science research, semiconductor development, and chalcogenide studies.
What is the band gap of MgS2?
MgS2 has a DFT-computed band gap of 1.13 eV across 127 reported structures.
Is MgS2 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is MgS2 thermodynamically stable?
Yes — MgS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MgS2 are known?
127 structures of MgS2 are reported across 3 databases, spanning 24 distinct space groups.
How is MgS2 synthesized?
Literature-reported routes for MgS2 include sol gel, solid state (2 procedures documented).
What elements does MgS2 contain?
MgS2 contains Mg and S (2 elements).
Where does the data for MgS2 come from?
MgS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable phase, MgS2 serves as a critical reference point for understanding the behavior of magnesium-based chalcogenides. Without other direct siblings in this specific class, it stands as a primary example of how magnesium and sulfur can organize into complex, stable semiconducting architectures.

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

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