CaHfS3
CaHfS3 is a metastable, semiconducting ternary sulfide compound used in advanced materials research.
About CaHfS3
CaHfS3 is a ternary sulfide compound that functions as a semiconductor. Its composition, involving calcium, hafnium, and sulfur, places it within a specialized group of chalcogenide materials that are currently being investigated for their unique electronic behavior.
As a metastable phase, this compound represents a complex structural arrangement that requires specific synthesis conditions. Its existence across multiple databases highlights its significance in ongoing computational and experimental efforts to map the landscape of functional sulfide materials.
Key Properties
Cross-validated computational properties for CaHfS3, 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 CaHfS3 is used.
Frequently Asked Questions
Common questions about CaHfS3, answered from cross-validated data.
What is CaHfS3?
CaHfS3 is a metastable, semiconducting ternary sulfide compound used in advanced materials research.
What is CaHfS3 used for?
What is the band gap of CaHfS3?
Is CaHfS3 a metal, semiconductor, or insulator?
Is CaHfS3 thermodynamically stable?
How many polymorphs of CaHfS3 are known?
What elements does CaHfS3 contain?
Where does the data for CaHfS3 come from?
How It Compares
As a member of the ternary sulfide family, CaHfS3 serves as a distinct example of how hafnium-based chalcogenides can exhibit semiconducting properties. While it lacks a broad family of closely related analogs in this specific classification, it stands as a critical reference point for understanding the stability and electronic potential of complex sulfides in modern materials science.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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