WI2

Tungsten diiodide is a stable, semiconducting binary compound formed from tungsten and iodine that is frequently studied for its structural properties.

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Crystal structure of WI2
Ground-state structure · Materials Project
Overview

About WI2

Tungsten diiodide is a binary halide compound composed of tungsten and iodine. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within the tungsten-iodine system. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in solid-state physics and materials science.

Given its status as a well-documented phase with numerous reported structures, this compound serves as a critical reference point for understanding metal-halide bonding and structural diversity. It is primarily utilized in research contexts to explore the behavior of transition metal iodides under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for WI2, aggregated across 3 databases.

Band Gap

1.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

23
3 databases, 8 space groups
Uses

Applications

Where WI2 is used.

Materials science researchSolid-state physics studiesFundamental halide chemistry
Reference

Frequently Asked Questions

Common questions about WI2, answered from cross-validated data.

What is WI2?

Tungsten diiodide is a stable, semiconducting binary compound formed from tungsten and iodine that is frequently studied for its structural properties.

More questions
What is WI2 used for?
WI2 is used in materials science research, solid-state physics studies, and fundamental halide chemistry.
What is the band gap of WI2?
WI2 has a DFT-computed band gap of 1.96 eV across 23 reported structures.
Is WI2 a metal, semiconductor, or insulator?
With a band gap up to 1.96 eV it is a semiconductor.
Is WI2 thermodynamically stable?
Yes — WI2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of WI2 are known?
23 structures of WI2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does WI2 contain?
WI2 contains I and W (2 elements).
Where does the data for WI2 come from?
WI2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct binary halide, tungsten diiodide occupies a unique position in the landscape of transition metal compounds. Without direct structural analogs in this immediate class, it stands as a primary example of how tungsten and iodine can form a stable, semiconducting lattice that maintains structural integrity across multiple reported configurations.

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

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