Cu6P2S8

Cu6P2S8 is a thermodynamically stable, semiconducting copper phosphorus sulfide compound.

CuPS
Crystal structure of Cu6P2S8
Ground-state structure · Materials Project
Overview

About Cu6P2S8

Cu6P2S8 is a complex ternary sulfide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the copper-phosphorus-sulfur chemical space.

This material is of significant interest for fundamental solid-state studies due to its structural complexity and stability. Its electronic properties make it a candidate for investigation in fields requiring stable, semiconducting inorganic frameworks.

At a glance

Key Properties

Cross-validated computational properties for Cu6P2S8, aggregated across 3 databases.

Band Gap

1.02 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Cu6P2S8, answered from cross-validated data.

What is Cu6P2S8?

Cu6P2S8 is a thermodynamically stable, semiconducting copper phosphorus sulfide compound.

More questions
What is the band gap of Cu6P2S8?
Cu6P2S8 has a DFT-computed band gap of 1.02 eV across 6 reported structures.
Is Cu6P2S8 a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is Cu6P2S8 thermodynamically stable?
Yes — Cu6P2S8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cu6P2S8 are known?
6 structures of Cu6P2S8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu6P2S8 contain?
Cu6P2S8 contains Cu, P, and S (3 elements).
Where does the data for Cu6P2S8 come from?
Cu6P2S8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary sulfide, Cu6P2S8 occupies a distinct position in materials research, serving as a benchmark for structural stability among complex copper-based chalcogenides.

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

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