Cs2P2S6

Cs2P2S6 is a thermodynamically stable semiconducting compound composed of cesium, phosphorus, and sulfur.

CsPS
Crystal structure of Cs2P2S6
Ground-state structure · Materials Project
Overview

About Cs2P2S6

Cs2P2S6 is a complex chalcogenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration within the cesium-phosphorus-sulfur chemical space.

Its stability and electronic properties make it a subject of interest for researchers investigating new semiconducting materials. The compound's existence across multiple structural databases highlights its significance as a well-defined phase for further scientific exploration.

At a glance

Key Properties

Cross-validated computational properties for Cs2P2S6, aggregated across 3 databases.

Band Gap

1.91 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Cs2P2S6, answered from cross-validated data.

What is Cs2P2S6?

Cs2P2S6 is a thermodynamically stable semiconducting compound composed of cesium, phosphorus, and sulfur.

More questions
What is the band gap of Cs2P2S6?
Cs2P2S6 has a DFT-computed band gap of 1.91 eV across 3 reported structures.
Is Cs2P2S6 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is Cs2P2S6 thermodynamically stable?
Yes — Cs2P2S6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cs2P2S6 are known?
3 structures of Cs2P2S6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2P2S6 contain?
Cs2P2S6 contains Cs, P, and S (3 elements).
Where does the data for Cs2P2S6 come from?
Cs2P2S6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique phase within the broader landscape of complex chalcogenides, Cs2P2S6 serves as a stable reference point for understanding the interplay between alkali metals and phosphorus-sulfur frameworks in semiconducting materials.

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

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