IClO

IClO is a metastable, semiconducting ternary compound consisting of iodine, chlorine, and oxygen.

ClIO
Crystal structure of IClO
Ground-state structure · Materials Project
Overview

About IClO

IClO is a complex inorganic compound composed of iodine, chlorine, and oxygen. As a semiconducting material, it exhibits unique electronic properties that distinguish it from simple binary halides or oxides, making it a subject of interest for fundamental solid-state research.

Due to its metastable nature, this compound represents a challenging synthetic target. Its existence across multiple reported structures highlights the structural diversity possible within this specific elemental combination, providing a rich dataset for researchers investigating non-equilibrium phase stability.

At a glance

Key Properties

Cross-validated computational properties for IClO, aggregated across 4 databases.

Band Gap

1.05 eV
Range across DFT structures

Energy Above Hull

0.061 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
4 databases, 7 space groups
Uses

Applications

Where IClO is used.

Fundamental solid-state researchMaterials science exploration of metastable phases
Reference

Frequently Asked Questions

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

What is IClO?

IClO is a metastable, semiconducting ternary compound consisting of iodine, chlorine, and oxygen.

More questions
What is IClO used for?
IClO is used in fundamental solid-state research and materials science exploration of metastable phases.
What is the band gap of IClO?
IClO has a DFT-computed band gap of 1.05 eV across 9 reported structures.
Is IClO a metal, semiconductor, or insulator?
With a band gap up to 1.05 eV it is a semiconductor.
Is IClO thermodynamically stable?
IClO has a lowest energy above hull of 0.061 eV/atom (metastable).
How many polymorphs of IClO are known?
9 structures of IClO are reported across 4 databases, spanning 7 distinct space groups.
What elements does IClO contain?
IClO contains Cl, I, and O (3 elements).
Where does the data for IClO come from?
IClO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, IClO occupies a specialized niche in materials science. Without direct structural siblings in this specific chemical class, it serves as a primary reference point for understanding how iodine-chlorine-oxygen interactions influence semiconducting behavior and structural metastability.

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

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