Te4W3Se2

Te4W3Se2 is a metastable semiconducting material composed of tungsten, tellurium, and selenium.

SeTeW
Crystal structure of Te4W3Se2 (hexagonal, P-6m2 (No. 187))
Ground-state structure · Materials Project
Overview

About Te4W3Se2

Te4W3Se2 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized structural configuration within the tungsten-tellurium-selenium system, offering researchers insight into the stability limits of such multi-element frameworks.

Its significance lies in its potential for electronic applications where specific semiconducting properties are required. Given its metastable nature, it serves as an important subject for understanding phase formation and stability in complex inorganic materials.

At a glance

Key Properties

Cross-validated computational properties for Te4W3Se2, aggregated across 3 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

0.044 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Te4W3Se2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-6m2 (No. 187)hexagonal0.370.0441-31.8346.03
P3m1 (No. 156)trigonal0.340.0442-31.8346.02
P3m1 (No. 156)Trigonal6.02
P3m1 (No. 156)Trigonal6.25
P-6m2 (No. 187)Hexagonal6.11
P-6m2 (No. 187)Hexagonal6.27
P-6m2 (No. 187)Hexagonal6.03
P3m1 (No. 156)Trigonal6.10
P3m1 (No. 156)
P-6m2 (No. 187)
Uses

Applications

Where Te4W3Se2 is used.

semiconductor researchmaterials science explorationstructural phase analysis
Reference

Frequently Asked Questions

Common questions about Te4W3Se2, answered from cross-validated data.

What is Te4W3Se2?

Te4W3Se2 is a metastable semiconducting material composed of tungsten, tellurium, and selenium.

More questions
What is Te4W3Se2 used for?
Te4W3Se2 is used in semiconductor research, materials science exploration, and structural phase analysis.
What is the band gap of Te4W3Se2?
Te4W3Se2 has a DFT-computed band gap of 0.37 eV across 10 reported structures.
Is Te4W3Se2 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Te4W3Se2 thermodynamically stable?
Te4W3Se2 has a lowest energy above hull of 0.044 eV/atom (metastable).
What is the crystal structure of Te4W3Se2?
The lowest-energy reported polymorph of Te4W3Se2 is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of Te4W3Se2?
The computed density of the ground-state structure of Te4W3Se2 is 6.03 g/cm³.
How many polymorphs of Te4W3Se2 are known?
10 structures of Te4W3Se2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Te4W3Se2 contain?
Te4W3Se2 contains Se, Te, and W (3 elements).
Where does the data for Te4W3Se2 come from?
Te4W3Se2 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique ternary compound within its chemical system, Te4W3Se2 occupies a distinct niche where it serves as a structural reference point for exploring the interplay between tungsten and chalcogen elements in non-equilibrium states.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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