Br2Cu12P2S10

Br2Cu12P2S10 is a semiconducting quaternary compound containing copper, phosphorus, sulfur, and bromine that is potentially synthesizable for advanced material applications.

BrCuPS
Crystal structure of Br2Cu12P2S10
Ground-state structure · Materials Project
Overview

About Br2Cu12P2S10

Br2Cu12P2S10 is a complex quaternary semiconductor composed of bromine, copper, phosphorus, and sulfur. Its structural arrangement places it as a distinctive member of the broader family of copper-based chalcogenide halides, which are frequently investigated for their tunable electronic properties. The material is considered thermodynamically near-hull, suggesting that it is likely synthesizable under controlled laboratory conditions. Its electronic character makes it an intriguing subject for researchers aiming to develop new functional semiconductors for specialized technological applications.

At a glance

Key Properties

Cross-validated computational properties for Br2Cu12P2S10, aggregated across 3 databases.

Band Gap

0.82 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Br2Cu12P2S10 is used.

Semiconductor researchOptoelectronic material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Br2Cu12P2S10, answered from cross-validated data.

What is Br2Cu12P2S10?

Br2Cu12P2S10 is a semiconducting quaternary compound containing copper, phosphorus, sulfur, and bromine that is potentially synthesizable for advanced material applications.

More questions
What is Br2Cu12P2S10 used for?
Br2Cu12P2S10 is used in semiconductor research, optoelectronic material development, and solid-state chemistry studies.
What is the band gap of Br2Cu12P2S10?
Br2Cu12P2S10 has a DFT-computed band gap of 0.82 eV across 3 reported structures.
Is Br2Cu12P2S10 a metal, semiconductor, or insulator?
With a band gap up to 0.82 eV it is a semiconductor.
Is Br2Cu12P2S10 thermodynamically stable?
Br2Cu12P2S10 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of Br2Cu12P2S10 are known?
3 structures of Br2Cu12P2S10 are reported across 3 databases, spanning 1 distinct space group.
What elements does Br2Cu12P2S10 contain?
Br2Cu12P2S10 contains Br, Cu, P, and S (4 elements).
Where does the data for Br2Cu12P2S10 come from?
Br2Cu12P2S10 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary compound, Br2Cu12P2S10 occupies a specialized niche in materials science. It serves as a structural reference point for understanding how the integration of halide ions into copper-phosphorus-sulfur frameworks influences electronic behavior, providing a baseline for future exploration of this chemical space.

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

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