CaHoS2
CaHoS2 is a stable, semiconducting ternary sulfide compound containing calcium, holmium, and sulfur.
About CaHoS2
CaHoS2 is a ternary sulfide compound composed of calcium, holmium, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, positioning it as a material of interest for fundamental studies in electronic and optoelectronic phenomena. The existence of multiple reported structures across various databases highlights its structural versatility and the ongoing scientific interest in characterizing its physical properties. This compound serves as a valuable entry point for understanding the interplay between rare-earth elements and chalcogenide frameworks in complex inorganic systems.
Key Properties
Cross-validated computational properties for CaHoS2, 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 CaHoS2 is used.
Frequently Asked Questions
Common questions about CaHoS2, answered from cross-validated data.
What is CaHoS2?
CaHoS2 is a stable, semiconducting ternary sulfide compound containing calcium, holmium, and sulfur.
What is CaHoS2 used for?
What is the band gap of CaHoS2?
Is CaHoS2 a metal, semiconductor, or insulator?
Is CaHoS2 thermodynamically stable?
How many polymorphs of CaHoS2 are known?
What elements does CaHoS2 contain?
Where does the data for CaHoS2 come from?
How It Compares
As a unique ternary sulfide, CaHoS2 represents a distinct point in the chemical space of calcium-holmium-sulfur systems. While it currently stands as a singular entry in this specific compositional class, its thermodynamic stability makes it a reliable benchmark for evaluating the behavior of similar rare-earth chalcogenides in future materials discovery efforts.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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