Lu2S3

Lu2S3 is a thermodynamically stable semiconducting compound composed of lutetium and sulfur.

LuS
Crystal structure of Lu2S3
Ground-state structure · Materials Project
Overview

About Lu2S3

Lu2S3 is a binary rare-earth sulfide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of lutetium and sulfur atoms. Its structural diversity is highlighted by the numerous configurations documented across various materials databases, underscoring its significance in solid-state chemistry.

This compound serves as a critical subject for researchers investigating the electronic and optical properties of heavy lanthanide chalcogenides. Its stability and well-defined semiconducting nature make it a valuable candidate for fundamental studies into how rare-earth elements influence the band structure and lattice dynamics of inorganic sulfides.

At a glance

Key Properties

Cross-validated computational properties for Lu2S3, aggregated across 3 databases.

Band Gap

0.72–2.57 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

24
3 databases, 10 space groups
Uses

Applications

Where Lu2S3 is used.

Solid-state researchMaterials science investigationsLanthanide chalcogenide studies
Reference

Frequently Asked Questions

Common questions about Lu2S3, answered from cross-validated data.

What is Lu2S3?

Lu2S3 is a thermodynamically stable semiconducting compound composed of lutetium and sulfur.

More questions
What is Lu2S3 used for?
Lu2S3 is used in solid-state research, materials science investigations, and lanthanide chalcogenide studies.
What is the band gap of Lu2S3?
Lu2S3 has a DFT-computed band gap of 0.72–2.57 eV across 24 reported structures.
Is Lu2S3 a metal, semiconductor, or insulator?
With a band gap up to 2.57 eV it is a semiconductor.
Is Lu2S3 thermodynamically stable?
Yes — Lu2S3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Lu2S3 are known?
24 structures of Lu2S3 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Lu2S3 contain?
Lu2S3 contains Lu and S (2 elements).
Where does the data for Lu2S3 come from?
Lu2S3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct rare-earth sulfide, Lu2S3 occupies a unique position within the broader family of lanthanide-based chalcogenides. It is characterized by its notable thermodynamic stability, which distinguishes it from more metastable or highly reactive members of the sulfide class, allowing for more consistent experimental characterization and potential integration into specialized material systems.

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

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