MoS6

MoS6 is a metastable, sulfur-rich transition-metal compound that exhibits semiconducting properties.

Crystal structure of MoS6
Ground-state structure · Materials Project
Overview

About MoS6

MoS6 is a sulfur-rich member of the transition-metal dichalcogenide family, characterized by a higher sulfur-to-molybdenum ratio than typical stable phases. It exhibits a semiconducting electronic profile, making it a subject of interest for researchers exploring non-stoichiometric metal sulfides.

Due to its position above the thermodynamic hull, this compound is considered metastable, reflecting the synthetic challenges in stabilizing such high-sulfur configurations. It remains a notable entry in structural databases, representing the diverse compositional space accessible within molybdenum-sulfur systems.

At a glance

Key Properties

Cross-validated computational properties for MoS6, aggregated across 2 databases.

Band Gap

0.22 eV
Range across DFT structures

Energy Above Hull

1.294 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

19
2 databases, 4 space groups
Uses

Applications

Where MoS6 is used.

Fundamental materials researchExploratory thin-film synthesisComputational structural modeling
Reference

Frequently Asked Questions

Common questions about MoS6, answered from cross-validated data.

What is MoS6?

MoS6 is a metastable, sulfur-rich transition-metal compound that exhibits semiconducting properties.

More questions
What is MoS6 used for?
MoS6 is used in fundamental materials research, exploratory thin-film synthesis, and computational structural modeling.
What is the band gap of MoS6?
MoS6 has a DFT-computed band gap of 0.22 eV across 19 reported structures.
Is MoS6 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is MoS6 thermodynamically stable?
MoS6 has a lowest energy above hull of 1.294 eV/atom (above hull).
How many polymorphs of MoS6 are known?
19 structures of MoS6 are reported across 2 databases, spanning 4 distinct space groups.
What elements does MoS6 contain?
MoS6 contains Mo and S (2 elements).
Where does the data for MoS6 come from?
MoS6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal dichalcogenides class.

Unlike the highly stable and widely utilized MoS2, which serves as the prototypical semiconductor in this class, MoS6 represents a more exotic and less thermodynamically favored stoichiometry. While siblings like MoSe2 and MoS2 are prized for their robust layered structures, MoS6 occupies a more complex structural landscape, highlighting the distinct stability boundaries that exist when moving away from traditional dichalcogenide ratios.

Explore

Related Compounds

Other Transition-Metal Dichalcogenides in the database.

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

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