WSeS

WSeS is a semiconducting tungsten chalcogenide alloy that is considered a promising candidate for synthesis and use in high-performance electronic devices.

SSeW
Crystal structure of WSeS (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

About WSeS

WSeS is a semiconducting tungsten-based chalcogenide that incorporates both sulfur and selenium into its lattice. As a near-hull material, it occupies a favorable energetic position that suggests it is likely synthesizable and stable enough for experimental exploration in thin-film architectures.

This compound is primarily studied for its potential in next-generation electronics and optoelectronics. Its electronic character makes it a candidate for applications where tunable band properties are required, leveraging the combined characteristics of its constituent chalcogen elements.

At a glance

Key Properties

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

Band Gap

0.52–2.07 eV
Range across DFT structures · ground state: narrow gap

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
3 DFT sources

Structures

33
3 databases, 4 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of WSeS. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.45 / 1.00
Trust tier: low

Hull Spread

0.138 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

Mixed (most: P-3m1 (No. 164))
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——1.870.0000-0.789—
——1.870.0001-0.789—
——1.870.0019-0.787—
——1.870.0020-0.787—
——2.070.0110-0.778—
P-3m1 (No. 164)trigonal1.340.0111-25.3047.96
——1.880.0115-0.777—
——1.030.0143-0.775—
P3m1 (No. 156)trigonal0.810.0218-25.2934.71
C2/m (No. 12)monoclinic0.520.1377-0.706—
P3m1 (No. 156)trigonal0.600.1569-0.687—
Cm (No. 8)monoclinic0.570.1570-0.687—
Uses

Applications

Where WSeS is used.

Optoelectronic devicesSemiconductor researchThin-film electronics
Reference

Frequently Asked Questions

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

What is WSeS?

WSeS is a semiconducting tungsten chalcogenide alloy that is considered a promising candidate for synthesis and use in high-performance electronic devices.

More questions
What is WSeS used for?
WSeS is used in optoelectronic devices, semiconductor research, and thin-film electronics.
What is the band gap of WSeS?
WSeS has a DFT-computed band gap of 0.52–2.07 eV across 33 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is WSeS a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 2.07 eV (a semiconductor). Measured gaps are typically larger.
Is WSeS thermodynamically stable?
Yes — WSeS sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of WSeS?
The reference structure of WSeS is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of WSeS?
The computed density of the ground-state structure of WSeS is 7.96 g/cm³.
How many polymorphs of WSeS are known?
33 structures of WSeS are reported across 3 databases, spanning 4 distinct space groups.
What elements does WSeS contain?
WSeS contains S, Se, and W (3 elements).
Where does the data for WSeS come from?
WSeS data is cross-referenced from oqmd, materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a ternary alloy, WSeS serves as a bridge between pure tungsten disulfide and tungsten diselenide, allowing researchers to fine-tune material properties by adjusting the ratio of sulfur to selenium within the lattice structure.

Data sources & attribution
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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