CaAlS2
CaAlS2 is a stable, insulating ternary sulfide compound characterized by a wide electronic band gap.
About CaAlS2
CaAlS2 is a distinct ternary sulfide that exists as a thermodynamically stable phase, sitting securely on the convex hull. Its electronic character is defined by a wide-band-gap, classifying it as an insulating material with potential utility in specialized optoelectronic or dielectric applications.
As a material with multiple reported structures across databases, it represents a subject of ongoing interest for researchers investigating complex sulfide systems. Its stability suggests it can be synthesized and handled reliably for experimental characterization in solid-state chemistry.
Key Properties
Cross-validated computational properties for CaAlS2, 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 CaAlS2 is used.
Frequently Asked Questions
Common questions about CaAlS2, answered from cross-validated data.
What is CaAlS2?
CaAlS2 is a stable, insulating ternary sulfide compound characterized by a wide electronic band gap.
What is CaAlS2 used for?
What is the band gap of CaAlS2?
Is CaAlS2 a metal, semiconductor, or insulator?
Is CaAlS2 thermodynamically stable?
How many polymorphs of CaAlS2 are known?
What elements does CaAlS2 contain?
Where does the data for CaAlS2 come from?
How It Compares
As a unique ternary sulfide, CaAlS2 occupies a specific niche in materials research where its insulating nature and structural stability provide a foundation for exploring new functional properties within the broader family of calcium-aluminum-sulfur compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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