Br4Cu4P16S12
Br4Cu4P16S12 is a thermodynamically stable, semiconducting inorganic compound containing bromine, copper, phosphorus, and sulfur.
About Br4Cu4P16S12
Br4Cu4P16S12 is a complex inorganic compound composed of bromine, copper, phosphorus, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating electronic and optoelectronic material properties. The existence of multiple reported structures across various databases highlights its structural versatility and the ongoing scientific interest in its crystalline arrangements. This compound serves as a valuable case study for understanding how chalcogenide and halide components interact within a phosphorus-rich framework to produce stable, semiconducting architectures.
Key Properties
Cross-validated computational properties for Br4Cu4P16S12, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Br4Cu4P16S12 is used.
Frequently Asked Questions
Common questions about Br4Cu4P16S12, answered from cross-validated data.
What is Br4Cu4P16S12?
Br4Cu4P16S12 is a thermodynamically stable, semiconducting inorganic compound containing bromine, copper, phosphorus, and sulfur.
What is Br4Cu4P16S12 used for?
What is the band gap of Br4Cu4P16S12?
Is Br4Cu4P16S12 a metal, semiconductor, or insulator?
Is Br4Cu4P16S12 thermodynamically stable?
How many polymorphs of Br4Cu4P16S12 are known?
What elements does Br4Cu4P16S12 contain?
Where does the data for Br4Cu4P16S12 come from?
How It Compares
As a unique inorganic phase, Br4Cu4P16S12 occupies a specialized niche in materials science. While many related copper-based chalcogenides are explored for their conductive or photovoltaic properties, this specific composition stands out due to its thermodynamic stability and complex multi-element stoichiometry, which distinguishes it from simpler binary or ternary semiconductor systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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