NClO

NClO is a stable, semiconducting inorganic compound that serves as a subject of interest in structural materials research.

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

About NClO

NClO is a unique inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of nitrogen, chlorine, and oxygen atoms that holds significant interest for fundamental materials science research.

With numerous reported structural variations across multiple databases, this compound serves as a focal point for understanding complex bonding environments. Its stability makes it a compelling candidate for exploring specialized chemical pathways and potential functional applications in electronic materials.

At a glance

Key Properties

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

Band Gap

1.70–2.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

22
3 databases, 7 space groups
Reference

Frequently Asked Questions

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

What is NClO?

NClO is a stable, semiconducting inorganic compound that serves as a subject of interest in structural materials research.

More questions
What is the band gap of NClO?
NClO has a DFT-computed band gap of 1.70–2.07 eV across 22 reported structures.
Is NClO a metal, semiconductor, or insulator?
With a band gap up to 2.07 eV it is a semiconductor.
Is NClO thermodynamically stable?
Yes — NClO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NClO are known?
22 structures of NClO are reported across 3 databases, spanning 7 distinct space groups.
What elements does NClO contain?
NClO contains Cl, N, and O (3 elements).
Where does the data for NClO come from?
NClO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, NClO represents a distinct structural archetype. Its position on the convex hull distinguishes it as a particularly stable configuration, serving as a benchmark for future investigations into the chemical space of nitrogen-chlorine-oxygen systems.

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

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