NClO3

NClO3 is a thermodynamically stable, insulating inorganic compound that has been extensively documented across multiple structural databases.

ClNO
Crystal structure of NClO3
Ground-state structure · Materials Project
Overview

About NClO3

NClO3 is an insulating compound characterized by its wide-band-gap electronic structure. Its position on the convex hull indicates that it is a thermodynamically stable material, making it a subject of interest for structural studies and fundamental chemical investigation.

With multiple reported structures across major databases, this compound represents a well-documented inorganic species. Its stability and electronic profile suggest potential utility in specialized chemical synthesis or as a precursor in materials science applications.

At a glance

Key Properties

Cross-validated computational properties for NClO3, aggregated across 3 databases.

Band Gap

2.00–3.10 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 3 space groups
Uses

Applications

Where NClO3 is used.

Chemical synthesisMaterials science research
Reference

Frequently Asked Questions

Common questions about NClO3, answered from cross-validated data.

What is NClO3?

NClO3 is a thermodynamically stable, insulating inorganic compound that has been extensively documented across multiple structural databases.

More questions
What is NClO3 used for?
NClO3 is used in chemical synthesis and materials science research.
What is the band gap of NClO3?
NClO3 has a DFT-computed band gap of 2.00–3.10 eV across 12 reported structures.
Is NClO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.10 eV it is an insulator / wide-band-gap material.
Is NClO3 thermodynamically stable?
Yes — NClO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NClO3 are known?
12 structures of NClO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NClO3 contain?
NClO3 contains Cl, N, and O (3 elements).
Where does the data for NClO3 come from?
NClO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct inorganic compound, NClO3 occupies a unique niche within its chemical class. Its thermodynamic stability and insulating nature distinguish it as a robust candidate for further experimental characterization compared to less stable or more reactive analogs.

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

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