ClO3

ClO3 is a thermodynamically stable semiconducting compound composed of chlorine and oxygen atoms.

ClO
Crystal structure of ClO3
Ground-state structure · Materials Project
Overview

About ClO3

ClO3 is a distinct inorganic compound composed of chlorine and oxygen. It exhibits semiconducting electronic behavior and maintains a thermodynamically stable state, positioning it as a significant subject for structural analysis within its chemical system.

This material is characterized by a high degree of structural diversity, with numerous reported configurations documented across research databases. Its stability and electronic profile make it an intriguing candidate for investigating fundamental interactions between halogens and oxygen.

At a glance

Key Properties

Cross-validated computational properties for ClO3, aggregated across 3 databases.

Band Gap

1.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

43
3 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about ClO3, answered from cross-validated data.

What is ClO3?

ClO3 is a thermodynamically stable semiconducting compound composed of chlorine and oxygen atoms.

More questions
What is the band gap of ClO3?
ClO3 has a DFT-computed band gap of 1.21 eV across 43 reported structures.
Is ClO3 a metal, semiconductor, or insulator?
With a band gap up to 1.21 eV it is a semiconductor.
Is ClO3 thermodynamically stable?
Yes — ClO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ClO3 are known?
43 structures of ClO3 are reported across 3 databases, spanning 14 distinct space groups.
What elements does ClO3 contain?
ClO3 contains Cl and O (2 elements).
Where does the data for ClO3 come from?
ClO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its chemical group, ClO3 serves as a foundational reference point for understanding the phase stability and electronic properties of chlorine-oxygen systems. Its position on the convex hull highlights its importance as a stable baseline for future comparative studies of related halogen oxides.

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

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