Na2Zn3S4

Na2Zn3S4 is a metastable semiconducting sulfide compound containing sodium, zinc, and sulfur.

NaSZn
Crystal structure of Na2Zn3S4
Ground-state structure · Materials Project
Overview

About Na2Zn3S4

Na2Zn3S4 is a complex sulfide compound composed of sodium, zinc, and sulfur. As a semiconducting material, it represents a unique intersection of alkali metal and transition metal chemistry, drawing interest for its potential electronic and optical properties.

Despite its metastable nature, the compound has been identified across multiple structural configurations in materials databases. Its existence in various forms underscores the complexity of the sodium-zinc-sulfur phase space and its importance in exploratory materials science.

At a glance

Key Properties

Cross-validated computational properties for Na2Zn3S4, aggregated across 3 databases.

Band Gap

2.28 eV
Range across DFT structures

Energy Above Hull

0.075 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Na2Zn3S4 is used.

Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Na2Zn3S4, answered from cross-validated data.

What is Na2Zn3S4?

Na2Zn3S4 is a metastable semiconducting sulfide compound containing sodium, zinc, and sulfur.

More questions
What is Na2Zn3S4 used for?
Na2Zn3S4 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of Na2Zn3S4?
Na2Zn3S4 has a DFT-computed band gap of 2.28 eV across 6 reported structures.
Is Na2Zn3S4 a metal, semiconductor, or insulator?
With a band gap up to 2.28 eV it is a semiconductor.
Is Na2Zn3S4 thermodynamically stable?
Na2Zn3S4 has a lowest energy above hull of 0.075 eV/atom (metastable).
How many polymorphs of Na2Zn3S4 are known?
6 structures of Na2Zn3S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na2Zn3S4 contain?
Na2Zn3S4 contains Na, S, and Zn (3 elements).
Where does the data for Na2Zn3S4 come from?
Na2Zn3S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the broader family of sodium-zinc sulfides, Na2Zn3S4 occupies a distinct position due to its specific stoichiometry and metastable electronic state. It serves as a valuable case study for understanding how structural diversity emerges in complex ternary chalcogenides.

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

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