NbCu3S4

NbCu3S4 is a stable, semiconducting sulfide compound composed of niobium, copper, and sulfur.

CuNbS
Crystal structure of NbCu3S4
Ground-state structure · Materials Project
Overview

About NbCu3S4

NbCu3S4 is a complex sulfide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the copper-niobium-sulfur system.

This material is of significant interest for fundamental materials research due to its structural stability and electronic characteristics. Its existence across multiple databases highlights its importance as a well-defined inorganic compound for further investigation into its potential functional properties.

At a glance

Key Properties

Cross-validated computational properties for NbCu3S4, aggregated across 3 databases.

Band Gap

1.66 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, 1 space group
Uses

Applications

Where NbCu3S4 is used.

Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about NbCu3S4, answered from cross-validated data.

What is NbCu3S4?

NbCu3S4 is a stable, semiconducting sulfide compound composed of niobium, copper, and sulfur.

More questions
What is NbCu3S4 used for?
NbCu3S4 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of NbCu3S4?
NbCu3S4 has a DFT-computed band gap of 1.66 eV across 6 reported structures.
Is NbCu3S4 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is NbCu3S4 thermodynamically stable?
Yes — NbCu3S4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbCu3S4 are known?
6 structures of NbCu3S4 are reported across 3 databases, spanning 1 distinct space group.
What elements does NbCu3S4 contain?
NbCu3S4 contains Cu, Nb, and S (3 elements).
Where does the data for NbCu3S4 come from?
NbCu3S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the sulfide family, NbCu3S4 serves as a benchmark for understanding the structural and electronic interplay in copper-based ternary chalcogenides. It occupies a distinct position in the landscape of semiconducting materials, offering a stable framework for exploring specialized electronic applications.

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

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