Sc2S3

Sc2S3 is a thermodynamically stable, semiconducting inorganic sulfide compound.

SSc
Crystal structure of Sc2S3
Ground-state structure · Materials Project
Overview

About Sc2S3

Sc2S3 is a thermodynamically stable sulfide compound that exhibits semiconducting electronic behavior. As a member of the scandium-sulfur system, it represents a significant phase that sits securely on the convex hull, indicating robust stability under standard conditions.

With a high degree of structural diversity reported across multiple databases, this material is a subject of interest for researchers investigating complex chalcogenide systems. Its semiconducting nature makes it a candidate for specialized electronic and optoelectronic applications where stable, non-metallic inorganic materials are required.

At a glance

Key Properties

Cross-validated computational properties for Sc2S3, aggregated across 3 databases.

Band Gap

0.93–1.39 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

80
3 databases, 16 space groups
Uses

Applications

Where Sc2S3 is used.

Semiconductor researchMaterials science studiesSolid-state chemistry
Reference

Frequently Asked Questions

Common questions about Sc2S3, answered from cross-validated data.

What is Sc2S3?

Sc2S3 is a thermodynamically stable, semiconducting inorganic sulfide compound.

More questions
What is Sc2S3 used for?
Sc2S3 is used in semiconductor research, materials science studies, and solid-state chemistry.
What is the band gap of Sc2S3?
Sc2S3 has a DFT-computed band gap of 0.93–1.39 eV across 80 reported structures.
Is Sc2S3 a metal, semiconductor, or insulator?
With a band gap up to 1.39 eV it is a semiconductor.
Is Sc2S3 thermodynamically stable?
Yes — Sc2S3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Sc2S3 are known?
80 structures of Sc2S3 are reported across 3 databases, spanning 16 distinct space groups.
What elements does Sc2S3 contain?
Sc2S3 contains S and Sc (2 elements).
Where does the data for Sc2S3 come from?
Sc2S3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting sulfide, Sc2S3 serves as a foundational reference point for scandium-based chalcogenides. It occupies a distinct position in the landscape of inorganic sulfides, providing a stable structural framework that contrasts with less stable or metallic alternatives in the broader class of transition metal sulfides.

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

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