IO3

IO3 is a metastable semiconducting compound containing iodine and oxygen that is primarily studied for its structural complexity.

IO
Crystal structure of IO3
Ground-state structure · Materials Project
Overview

About IO3

IO3 is a metastable binary oxide composed of iodine and oxygen. As a semiconducting material, it exhibits complex structural behavior, evidenced by the high volume of reported configurations across various crystallographic databases.

Its significance lies in its role as a subject of fundamental research into high-oxidation-state iodine compounds. Understanding the stability and electronic nature of this material provides insight into the broader chemistry of halogen oxides.

At a glance

Key Properties

Cross-validated computational properties for IO3, aggregated across 3 databases.

Band Gap

1.92 eV
Range across DFT structures

Energy Above Hull

0.053 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

154
3 databases, 23 space groups
Reference

Frequently Asked Questions

Common questions about IO3, answered from cross-validated data.

What is IO3?

IO3 is a metastable semiconducting compound containing iodine and oxygen that is primarily studied for its structural complexity.

More questions
What is the band gap of IO3?
IO3 has a DFT-computed band gap of 1.92 eV across 154 reported structures.
Is IO3 a metal, semiconductor, or insulator?
With a band gap up to 1.92 eV it is a semiconductor.
Is IO3 thermodynamically stable?
IO3 has a lowest energy above hull of 0.053 eV/atom (metastable).
How many polymorphs of IO3 are known?
154 structures of IO3 are reported across 3 databases, spanning 23 distinct space groups.
What elements does IO3 contain?
IO3 contains I and O (2 elements).
Where does the data for IO3 come from?
IO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary oxide, IO3 represents a distinct case within the landscape of iodine-oxygen compounds, serving as a critical reference point for studying metastable phases where structural diversity is high.

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

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