NbSCl

NbSCl is a stable, semiconducting inorganic compound composed of niobium, sulfur, and chlorine.

ClNbS
Overview

About NbSCl

NbSCl is a distinct inorganic compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of niobium, sulfur, and chlorine atoms that maintains structural integrity under standard conditions. The material is characterized by significant structural diversity, with multiple reported configurations across various databases. This structural flexibility makes it an intriguing subject for fundamental research into low-dimensional materials and potential functional electronics.

At a glance

Key Properties

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

Band Gap

1.51 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 4 space groups
Uses

Applications

Where NbSCl is used.

Fundamental materials researchSemiconductor device prototypingSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is NbSCl?

NbSCl is a stable, semiconducting inorganic compound composed of niobium, sulfur, and chlorine.

More questions
What is NbSCl used for?
NbSCl is used in fundamental materials research, semiconductor device prototyping, and solid-state chemistry studies.
What is the band gap of NbSCl?
NbSCl has a DFT-computed band gap of 1.51 eV across 6 reported structures.
Is NbSCl a metal, semiconductor, or insulator?
With a band gap up to 1.51 eV it is a semiconductor.
Is NbSCl thermodynamically stable?
Yes — NbSCl sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbSCl are known?
6 structures of NbSCl are reported across 3 databases, spanning 4 distinct space groups.
What elements does NbSCl contain?
NbSCl contains Cl, Nb, and S (3 elements).
Where does the data for NbSCl come from?
NbSCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, NbSCl occupies a specialized niche in materials science, serving as a primary reference point for niobium-based chalcogenide halides. Its position on the convex hull ensures it is a reliable subject for experimental synthesis and theoretical modeling compared to more metastable or exotic phases.

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

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