ZnS

zinc sulfide · zinc blende, wurtzite

Zinc sulfide is a stable, widely used semiconductor material that serves as a cornerstone in the development of optical and electronic technologies.

Crystal structure of ZnS (trigonal, P3m1 (No. 156))
Ground-state structure · Materials Project
Overview

About zinc sulfide

Zinc sulfide is a foundational II-VI semiconductor known for its robust thermodynamic stability. As a highly studied material with a vast array of documented structural arrangements, it serves as a critical model system for understanding crystal growth and electronic behavior in binary chalcogenides.

Its unique semiconducting character makes it indispensable for high-performance optical and optoelectronic devices. The material is widely valued for its ability to maintain structural integrity under various conditions, supporting its role in advanced thin-film technologies and light-emitting components.

At a glance

Key Properties

Cross-validated computational properties for zinc sulfide, aggregated across 4 databases.

Band Gap

0.11–2.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

344
4 databases, 21 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ZnS, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P3m1 (No. 156)trigonal2.020.0000-9.4354.14
P3m1 (No. 156)trigonal2.020.0000-9.4354.14
P3m1 (No. 156)trigonal2.020.0000-9.4354.14
P3m1 (No. 156)trigonal1.990.0001-9.4354.14
P63mc (No. 186)hexagonal2.020.0001-9.4354.14
P3m1 (No. 156)trigonal2.020.0001-9.4354.14
P3m1 (No. 156)trigonal2.020.0001-9.4354.14
F-43m (No. 216)cubic2.020.0001-9.4354.14
P63mc (No. 186)hexagonal2.020.0002-9.4354.14
P3m1 (No. 156)trigonal2.020.0002-9.4354.14
P3m1 (No. 156)trigonal2.020.0002-9.4354.14
P3m1 (No. 156)trigonal2.020.0002-9.4354.13
Uses

Applications

Where zinc sulfide is used.

Phosphors for cathode ray tubesInfrared optical windowsPhotovoltaic cellsLight-emitting diodesPigments and coatings
Reference

Frequently Asked Questions

Common questions about zinc sulfide, answered from cross-validated data.

What is ZnS?

Zinc sulfide is a stable, widely used semiconductor material that serves as a cornerstone in the development of optical and electronic technologies.

More questions
What is ZnS used for?
zinc sulfide (ZnS) is used in phosphors for cathode ray tubes, infrared optical windows, photovoltaic cells, light-emitting diodes, and pigments and coatings.
What is the band gap of ZnS?
zinc sulfide (ZnS) has a DFT-computed band gap of 0.11–2.09 eV across 344 reported structures.
Is ZnS a metal, semiconductor, or insulator?
With a band gap up to 2.09 eV it is a semiconductor.
Is ZnS thermodynamically stable?
Yes — zinc sulfide (ZnS) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnS?
The lowest-energy reported polymorph of zinc sulfide (ZnS) is trigonal symmetry, space group P3m1 (No. 156).
What is the density of ZnS?
The computed density of the ground-state structure of zinc sulfide (ZnS) is 4.14 g/cm³.
How many polymorphs of ZnS are known?
344 structures of ZnS are reported across 4 databases, spanning 21 distinct space groups.
What elements does ZnS contain?
zinc sulfide (ZnS) contains S and Zn (2 elements).
Where does the data for ZnS come from?
ZnS data is cross-referenced from materials_project.
Comparison

How It Compares

Within the ii-vi semiconductors class.

Within the II-VI semiconductor family, zinc sulfide stands out as a primary, highly stable benchmark compared to heavier counterparts like cadmium sulfide or cadmium telluride. While siblings such as CdS share similar structural motifs, zinc sulfide is distinguished by its widespread availability and its status as one of the most extensively characterized materials in its class.

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Related Compounds

Other II-VI Semiconductors in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).

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