Nd2S3

neodymium sesquisulfide · neodymium(III) sulfide

Nd2S3 is a thermodynamically stable semiconducting compound composed of neodymium and sulfur.

NdS
Crystal structure of Nd2S3
Ground-state structure · Materials Project
Overview

About neodymium sesquisulfide

Neodymium sesquisulfide is a thermodynamically stable binary chalcogenide that exists on the convex hull, indicating robust structural integrity. As a semiconducting material, it possesses electronic properties that make it a subject of interest for researchers investigating rare-earth sulfides.

Its structural versatility is highlighted by multiple reported configurations across various databases. This diversity in atomic arrangement allows for nuanced tuning of its physical characteristics, positioning it as a significant candidate for specialized electronic and optical applications.

At a glance

Key Properties

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

Band Gap

0.76–1.84 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 3 space groups
Uses

Applications

Where neodymium sesquisulfide is used.

semiconductor researchoptical materialsrare-earth material synthesis
Reference

Frequently Asked Questions

Common questions about neodymium sesquisulfide, answered from cross-validated data.

What is Nd2S3?

Nd2S3 is a thermodynamically stable semiconducting compound composed of neodymium and sulfur.

More questions
What is Nd2S3 used for?
neodymium sesquisulfide (Nd2S3) is used in semiconductor research, optical materials, and rare-earth material synthesis.
What is the band gap of Nd2S3?
neodymium sesquisulfide (Nd2S3) has a DFT-computed band gap of 0.76–1.84 eV across 6 reported structures.
Is Nd2S3 a metal, semiconductor, or insulator?
With a band gap up to 1.84 eV it is a semiconductor.
Is Nd2S3 thermodynamically stable?
Yes — neodymium sesquisulfide (Nd2S3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Nd2S3 are known?
6 structures of Nd2S3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Nd2S3 contain?
neodymium sesquisulfide (Nd2S3) contains Nd and S (2 elements).
Where does the data for Nd2S3 come from?
Nd2S3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable binary sulfide, Nd2S3 serves as a foundational example of rare-earth chalcogenide behavior. It represents a key reference point for understanding the electronic and structural trends within the broader family of lanthanide sulfides, where its stability and semiconducting nature define its utility in material design.

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

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