NaNbS6

NaNbS6 is a stable semiconducting compound composed of sodium, niobium, and sulfur.

NaNbS
Crystal structure of NaNbS6
Ground-state structure · Materials Project
Overview

About NaNbS6

NaNbS6 is a semiconducting ternary sulfide that exists as a thermodynamically stable phase on the convex hull. Its structural integrity and electronic properties make it a subject of interest for researchers investigating complex chalcogenide systems.

Due to its stability and electronic nature, this compound serves as a valuable model for understanding the interplay between alkali metals and transition metal sulfides. It is frequently evaluated in studies focusing on solid-state chemistry and the synthesis of new functional materials.

At a glance

Key Properties

Cross-validated computational properties for NaNbS6, aggregated across 3 databases.

Band Gap

0.61–1.67 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, 2 space groups
Uses

Applications

Where NaNbS6 is used.

Solid-state chemistry researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about NaNbS6, answered from cross-validated data.

What is NaNbS6?

NaNbS6 is a stable semiconducting compound composed of sodium, niobium, and sulfur.

More questions
What is NaNbS6 used for?
NaNbS6 is used in solid-state chemistry research, materials science exploration, and semiconductor development.
What is the band gap of NaNbS6?
NaNbS6 has a DFT-computed band gap of 0.61–1.67 eV across 6 reported structures.
Is NaNbS6 a metal, semiconductor, or insulator?
With a band gap up to 1.67 eV it is a semiconductor.
Is NaNbS6 thermodynamically stable?
Yes — NaNbS6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaNbS6 are known?
6 structures of NaNbS6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaNbS6 contain?
NaNbS6 contains Na, Nb, and S (3 elements).
Where does the data for NaNbS6 come from?
NaNbS6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the sodium-niobium-sulfur system, NaNbS6 represents a well-defined structural configuration that provides a baseline for exploring the wider landscape of ternary sulfides.

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

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