Mg2P2S6

Mg2P2S6 is a thermodynamically stable semiconducting material composed of magnesium, phosphorus, and sulfur.

MgPS
Crystal structure of Mg2P2S6
Ground-state structure · Materials Project
Overview

About Mg2P2S6

Mg2P2S6 is a semiconducting compound composed of magnesium, phosphorus, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its compositional space, offering a reliable structural foundation for further investigation.

Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic applications. The material has been documented with multiple reported structures, reflecting a significant level of interest in its potential for structural diversity and functional performance.

At a glance

Key Properties

Cross-validated computational properties for Mg2P2S6, aggregated across 3 databases.

Band Gap

2.80 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Mg2P2S6 is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about Mg2P2S6, answered from cross-validated data.

What is Mg2P2S6?

Mg2P2S6 is a thermodynamically stable semiconducting material composed of magnesium, phosphorus, and sulfur.

More questions
What is Mg2P2S6 used for?
Mg2P2S6 is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of Mg2P2S6?
Mg2P2S6 has a DFT-computed band gap of 2.80 eV across 3 reported structures.
Is Mg2P2S6 a metal, semiconductor, or insulator?
With a band gap up to 2.80 eV it is a semiconductor.
Is Mg2P2S6 thermodynamically stable?
Yes — Mg2P2S6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Mg2P2S6 are known?
3 structures of Mg2P2S6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg2P2S6 contain?
Mg2P2S6 contains Mg, P, and S (3 elements).
Where does the data for Mg2P2S6 come from?
Mg2P2S6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of its chemical family, Mg2P2S6 serves as a foundational reference point for exploring the broader potential of magnesium-phosphorus-sulfur compounds in solid-state chemistry.

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

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