Na3PS4

Na3PS4 is a stable, semiconducting sulfide compound primarily researched for its potential as a solid-state electrolyte material.

NaPS
Crystal structure of Na3PS4
Ground-state structure · Materials Project
Overview

About Na3PS4

Na3PS4 is a ternary sulfide compound that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the sodium-phosphorus-sulfur system.

This material is of significant interest in the field of solid-state ionics. Its structural stability and electronic nature make it a compelling candidate for investigation in electrochemical energy storage systems, particularly where high-performance solid electrolytes are required.

At a glance

Key Properties

Cross-validated computational properties for Na3PS4, aggregated across 3 databases.

Band Gap

2.29 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Na3PS4.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Na3PS4 is used.

Solid-state electrolyte researchElectrochemical energy storage
Reference

Frequently Asked Questions

Common questions about Na3PS4, answered from cross-validated data.

What is Na3PS4?

Na3PS4 is a stable, semiconducting sulfide compound primarily researched for its potential as a solid-state electrolyte material.

More questions
What is Na3PS4 used for?
Na3PS4 is used in solid-state electrolyte research and electrochemical energy storage.
What is the band gap of Na3PS4?
Na3PS4 has a DFT-computed band gap of 2.29 eV across 5 reported structures.
Is Na3PS4 a metal, semiconductor, or insulator?
With a band gap up to 2.29 eV it is a semiconductor.
Is Na3PS4 thermodynamically stable?
Yes — Na3PS4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na3PS4 are known?
5 structures of Na3PS4 are reported across 3 databases, spanning 2 distinct space groups.
How is Na3PS4 synthesized?
Literature-reported routes for Na3PS4 include solid state (2 procedures documented).
What elements does Na3PS4 contain?
Na3PS4 contains Na, P, and S (3 elements).
Where does the data for Na3PS4 come from?
Na3PS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct sulfide-based material, Na3PS4 functions as a foundational building block in the development of solid-state electrolytes, offering a stable structural framework that serves as a benchmark for evaluating other complex ternary sulfides in ion-conducting applications.

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

Analyze Na3PS4 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →