Cs2P2S12Ta2

Cs2P2S12Ta2 is a thermodynamically stable semiconducting quaternary compound composed of cesium, phosphorus, sulfur, and tantalum.

CsPSTa
Crystal structure of Cs2P2S12Ta2
Ground-state structure · Materials Project
Overview

About Cs2P2S12Ta2

Cs2P2S12Ta2 is a complex quaternary chalcogenide that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the cesium-phosphorus-sulfur-tantalum system.

This material is of interest to researchers investigating novel inorganic semiconductors with unique structural motifs. Its stability suggests potential for synthesis and further characterization in advanced materials research where specific electronic band structures are required.

At a glance

Key Properties

Cross-validated computational properties for Cs2P2S12Ta2, aggregated across 3 databases.

Band Gap

1.78 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Cs2P2S12Ta2 is used.

semiconductor researchsolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about Cs2P2S12Ta2, answered from cross-validated data.

What is Cs2P2S12Ta2?

Cs2P2S12Ta2 is a thermodynamically stable semiconducting quaternary compound composed of cesium, phosphorus, sulfur, and tantalum.

More questions
What is Cs2P2S12Ta2 used for?
Cs2P2S12Ta2 is used in semiconductor research and solid-state chemistry exploration.
What is the band gap of Cs2P2S12Ta2?
Cs2P2S12Ta2 has a DFT-computed band gap of 1.78 eV across 6 reported structures.
Is Cs2P2S12Ta2 a metal, semiconductor, or insulator?
With a band gap up to 1.78 eV it is a semiconductor.
Is Cs2P2S12Ta2 thermodynamically stable?
Yes — Cs2P2S12Ta2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cs2P2S12Ta2 are known?
6 structures of Cs2P2S12Ta2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cs2P2S12Ta2 contain?
Cs2P2S12Ta2 contains Cs, P, S, and Ta (4 elements).
Where does the data for Cs2P2S12Ta2 come from?
Cs2P2S12Ta2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary compound, Cs2P2S12Ta2 serves as a distinct entry in the landscape of complex chalcogenides, providing a stable structural framework that contrasts with simpler binary or ternary systems.

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

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