Mo2SeS3

Mo2SeS3 is a semiconducting ternary molybdenum chalcogenide that is considered thermodynamically stable enough for experimental synthesis.

MoSSe
Crystal structure of Mo2SeS3
Ground-state structure · Materials Project
Overview

About Mo2SeS3

Mo2SeS3 is a ternary molybdenum chalcogenide that exhibits semiconducting electronic properties. Its structural configuration places it as a near-hull material, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis and characterization.

Given the diverse landscape of molybdenum-based materials, this compound represents a specialized niche within chalcogenide chemistry. Its potential for synthesis makes it a compelling candidate for researchers investigating new semiconducting phases for future electronic and optoelectronic applications.

At a glance

Key Properties

Cross-validated computational properties for Mo2SeS3, aggregated across 3 databases.

Band Gap

0.50–1.06 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

15
3 databases, 2 space groups
Uses

Applications

Where Mo2SeS3 is used.

semiconductor researchoptoelectronic material developmentmaterials science exploration
Reference

Frequently Asked Questions

Common questions about Mo2SeS3, answered from cross-validated data.

What is Mo2SeS3?

Mo2SeS3 is a semiconducting ternary molybdenum chalcogenide that is considered thermodynamically stable enough for experimental synthesis.

More questions
What is Mo2SeS3 used for?
Mo2SeS3 is used in semiconductor research, optoelectronic material development, and materials science exploration.
What is the band gap of Mo2SeS3?
Mo2SeS3 has a DFT-computed band gap of 0.50–1.06 eV across 15 reported structures.
Is Mo2SeS3 a metal, semiconductor, or insulator?
With a band gap up to 1.06 eV it is a semiconductor.
Is Mo2SeS3 thermodynamically stable?
Mo2SeS3 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of Mo2SeS3 are known?
15 structures of Mo2SeS3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mo2SeS3 contain?
Mo2SeS3 contains Mo, S, and Se (3 elements).
Where does the data for Mo2SeS3 come from?
Mo2SeS3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Mo2SeS3 occupies a distinct position within the broader family of molybdenum chalcogenides. It serves as an intriguing example of how mixing sulfur and selenium within a molybdenum framework can create stable, semiconducting architectures that differ from the more common binary dichalcogenides.

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

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