Na6ZnS4

Na6ZnS4 is a thermodynamically stable semiconducting sulfide compound composed of sodium, zinc, and sulfur.

NaSZn
Crystal structure of Na6ZnS4
Ground-state structure · Materials Project
Overview

About Na6ZnS4

Na6ZnS4 is a complex sulfide compound containing sodium, zinc, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that is well-supported by structural data across multiple databases.

This material exhibits semiconducting electronic properties, making it an interesting candidate for research into chalcogenide-based electronics. Its stable nature suggests potential for reliable performance in specialized solid-state applications where precise electronic control is required.

At a glance

Key Properties

Cross-validated computational properties for Na6ZnS4, aggregated across 3 databases.

Band Gap

2.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Uses

Applications

Where Na6ZnS4 is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about Na6ZnS4, answered from cross-validated data.

What is Na6ZnS4?

Na6ZnS4 is a thermodynamically stable semiconducting sulfide compound composed of sodium, zinc, and sulfur.

More questions
What is Na6ZnS4 used for?
Na6ZnS4 is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of Na6ZnS4?
Na6ZnS4 has a DFT-computed band gap of 2.16 eV across 6 reported structures.
Is Na6ZnS4 a metal, semiconductor, or insulator?
With a band gap up to 2.16 eV it is a semiconductor.
Is Na6ZnS4 thermodynamically stable?
Yes — Na6ZnS4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na6ZnS4 are known?
6 structures of Na6ZnS4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na6ZnS4 contain?
Na6ZnS4 contains Na, S, and Zn (3 elements).
Where does the data for Na6ZnS4 come from?
Na6ZnS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct sulfide phase, Na6ZnS4 serves as a foundational example of sodium-zinc-sulfur chemistry. Without direct structural siblings in this specific grouping, it stands as a unique reference point for understanding how alkali metal incorporation influences the semiconducting behavior of zinc-sulfur networks.

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

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