BaCu4S3
BaCu4S3 is a thermodynamically stable, semiconducting ternary sulfide that is well-documented in structural databases.
About BaCu4S3
BaCu4S3 is a complex ternary sulfide composed of barium, copper, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within the chalcogenide family, offering reliable chemical behavior for research applications.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for electronic and optoelectronic studies. Its presence in multiple structural databases highlights its significance as a well-documented compound for those investigating copper-based sulfide semiconductors.
Key Properties
Cross-validated computational properties for BaCu4S3, 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 BaCu4S3 is used.
Frequently Asked Questions
Common questions about BaCu4S3, answered from cross-validated data.
What is BaCu4S3?
BaCu4S3 is a thermodynamically stable, semiconducting ternary sulfide that is well-documented in structural databases.
What is BaCu4S3 used for?
What is the band gap of BaCu4S3?
Is BaCu4S3 a metal, semiconductor, or insulator?
Is BaCu4S3 thermodynamically stable?
How many polymorphs of BaCu4S3 are known?
What elements does BaCu4S3 contain?
Where does the data for BaCu4S3 come from?
How It Compares
As a unique ternary sulfide, BaCu4S3 serves as a distinct representative of complex copper-sulfur frameworks. While it stands as a standalone entry in this context, it contributes to the broader understanding of how alkaline earth metals stabilize copper-rich chalcogenide lattices.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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