WI3

Tungsten triiodide is a metastable, semiconducting binary compound consisting of tungsten and iodine atoms.

IW
Crystal structure of WI3
Ground-state structure · Materials Project
Overview

About WI3

Tungsten triiodide is a binary inorganic compound composed of tungsten and iodine. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide coordination, offering distinct electronic properties that are of interest for fundamental solid-state studies.

Because it exists in a metastable state, this compound requires specific synthesis conditions to stabilize its structure. Its presence in structural databases highlights its role as a subject of ongoing investigation into the phase stability and bonding behavior of tungsten-iodine systems.

At a glance

Key Properties

Cross-validated computational properties for WI3, aggregated across 2 databases.

Band Gap

1.07 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

22
2 databases, 9 space groups
Uses

Applications

Where WI3 is used.

Fundamental solid-state researchMaterials science phase stability studiesTransition metal halide synthesis
Reference

Frequently Asked Questions

Common questions about WI3, answered from cross-validated data.

What is WI3?

Tungsten triiodide is a metastable, semiconducting binary compound consisting of tungsten and iodine atoms.

More questions
What is WI3 used for?
WI3 is used in fundamental solid-state research, materials science phase stability studies, and transition metal halide synthesis.
What is the band gap of WI3?
WI3 has a DFT-computed band gap of 1.07 eV across 22 reported structures.
Is WI3 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is WI3 thermodynamically stable?
WI3 has a lowest energy above hull of 0.047 eV/atom (metastable).
How many polymorphs of WI3 are known?
22 structures of WI3 are reported across 2 databases, spanning 9 distinct space groups.
What elements does WI3 contain?
WI3 contains I and W (2 elements).
Where does the data for WI3 come from?
WI3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the tungsten-iodine binary system, this compound serves as a critical reference point for understanding the diverse coordination geometries possible between heavy transition metals and halogens. It occupies a specialized niche in materials science where thermodynamic metastability dictates its synthesis and potential utility in experimental phase mapping.

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

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