W2NCl8

W2NCl8 is a stable, semiconducting inorganic compound containing tungsten, nitrogen, and chlorine.

ClNW
Crystal structure of W2NCl8
Ground-state structure · Materials Project
Overview

About W2NCl8

W2NCl8 is a distinct inorganic compound composed of tungsten, nitrogen, and chlorine. It is recognized for its thermodynamic stability, sitting securely on the convex hull, which suggests a robust structural arrangement that resists decomposition under standard conditions.

As a semiconducting material, this compound occupies a specialized niche in electronic materials research. Its electronic character makes it a subject of interest for fundamental studies into how transition metal nitrides and halides interact to influence charge transport and optical behavior.

At a glance

Key Properties

Cross-validated computational properties for W2NCl8, aggregated across 3 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about W2NCl8, answered from cross-validated data.

What is W2NCl8?

W2NCl8 is a stable, semiconducting inorganic compound containing tungsten, nitrogen, and chlorine.

More questions
What is the band gap of W2NCl8?
W2NCl8 has a DFT-computed band gap of 0.16 eV across 5 reported structures.
Is W2NCl8 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is W2NCl8 thermodynamically stable?
Yes — W2NCl8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of W2NCl8 are known?
5 structures of W2NCl8 are reported across 3 databases, spanning 1 distinct space group.
What elements does W2NCl8 contain?
W2NCl8 contains Cl, N, and W (3 elements).
Where does the data for W2NCl8 come from?
W2NCl8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic entity, W2NCl8 serves as a foundational reference point for exploring the complex chemistry of tungsten-nitrogen-chlorine systems. Without direct structural siblings in this specific class, it stands as a primary candidate for investigating how halogenation modifies the electronic properties of metal-nitrogen frameworks.

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

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