NbSBr

NbSBr is a thermodynamically stable semiconducting compound containing niobium, sulfur, and bromine.

BrNbS
Crystal structure of NbSBr
Ground-state structure · Materials Project
Overview

About NbSBr

NbSBr is a distinct ternary compound composed of niobium, sulfur, and bromine. As a thermodynamically stable material located on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.

This compound exhibits semiconducting electronic characteristics, making it a subject of interest for researchers investigating new functional materials. Its presence across multiple structural databases highlights its significance as a well-characterized member of its chemical family.

At a glance

Key Properties

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

Band Gap

1.41–1.50 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 8 space groups
Uses

Applications

Where NbSBr is used.

Semiconductor researchMaterials science explorationSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is NbSBr?

NbSBr is a thermodynamically stable semiconducting compound containing niobium, sulfur, and bromine.

More questions
What is NbSBr used for?
NbSBr is used in semiconductor research, materials science exploration, and solid-state chemistry studies.
What is the band gap of NbSBr?
NbSBr has a DFT-computed band gap of 1.41–1.50 eV across 11 reported structures.
Is NbSBr a metal, semiconductor, or insulator?
With a band gap up to 1.50 eV it is a semiconductor.
Is NbSBr thermodynamically stable?
Yes — NbSBr sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbSBr are known?
11 structures of NbSBr are reported across 3 databases, spanning 8 distinct space groups.
What elements does NbSBr contain?
NbSBr contains Br, Nb, and S (3 elements).
Where does the data for NbSBr come from?
NbSBr data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary halide-chalcogenide, NbSBr serves as a key representative of its class, offering a unique electronic profile that distinguishes it from simpler binary sulfides or halides. Its structural stability suggests it may serve as a foundational material for future research into complex low-dimensional semiconductors.

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

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