Cu4S12Ta4

Cu4S12Ta4 is a stable semiconducting sulfide material composed of copper, sulfur, and tantalum.

CuSTa
Crystal structure of Cu4S12Ta4
Ground-state structure · Materials Project
Overview

About Cu4S12Ta4

Cu4S12Ta4 is a complex ternary sulfide composed of copper, sulfur, and tantalum. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within this specific chemical system.

This material exhibits semiconducting electronic character, making it a subject of interest for fundamental solid-state research. Its structural integrity and distinct elemental composition provide a unique platform for investigating charge transport and electronic behavior in multicomponent chalcogenides.

At a glance

Key Properties

Cross-validated computational properties for Cu4S12Ta4, aggregated across 3 databases.

Band Gap

0.42 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, 1 space group
Reference

Frequently Asked Questions

Common questions about Cu4S12Ta4, answered from cross-validated data.

What is Cu4S12Ta4?

Cu4S12Ta4 is a stable semiconducting sulfide material composed of copper, sulfur, and tantalum.

More questions
What is the band gap of Cu4S12Ta4?
Cu4S12Ta4 has a DFT-computed band gap of 0.42 eV across 5 reported structures.
Is Cu4S12Ta4 a metal, semiconductor, or insulator?
With a band gap up to 0.42 eV it is a semiconductor.
Is Cu4S12Ta4 thermodynamically stable?
Yes — Cu4S12Ta4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cu4S12Ta4 are known?
5 structures of Cu4S12Ta4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu4S12Ta4 contain?
Cu4S12Ta4 contains Cu, S, and Ta (3 elements).
Where does the data for Cu4S12Ta4 come from?
Cu4S12Ta4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary compound, Cu4S12Ta4 serves as a benchmark for stability within the copper-tantalum-sulfur phase space, representing a well-defined structural configuration that is supported by multiple reports across material databases.

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

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