Ca8Ge4S16
Ca8Ge4S16 is a thermodynamically stable, semiconducting ternary sulfide that exhibits significant structural diversity.
About Ca8Ge4S16
Ca8Ge4S16 is a complex ternary sulfide composed of calcium, germanium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that resists decomposition under standard conditions. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating the interplay between structural complexity and electronic behavior in chalcogenide systems. The compound is characterized by a high degree of structural diversity, as evidenced by multiple reported configurations across various databases. This structural flexibility suggests that Ca8Ge4S16 may offer tunable properties depending on its specific crystalline arrangement, which is a critical factor for its potential integration into functional electronic or optoelectronic devices.
Key Properties
Cross-validated computational properties for Ca8Ge4S16, 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 Ca8Ge4S16 is used.
Frequently Asked Questions
Common questions about Ca8Ge4S16, answered from cross-validated data.
What is Ca8Ge4S16?
Ca8Ge4S16 is a thermodynamically stable, semiconducting ternary sulfide that exhibits significant structural diversity.
What is Ca8Ge4S16 used for?
What is the band gap of Ca8Ge4S16?
Is Ca8Ge4S16 a metal, semiconductor, or insulator?
Is Ca8Ge4S16 thermodynamically stable?
How many polymorphs of Ca8Ge4S16 are known?
What elements does Ca8Ge4S16 contain?
Where does the data for Ca8Ge4S16 come from?
How It Compares
As a member of the broader family of calcium-germanium-sulfur compounds, Ca8Ge4S16 stands out due to its confirmed thermodynamic stability. While many complex chalcogenides require specific synthesis conditions to maintain their integrity, this compound occupies a favorable energy state that ensures its persistence. It serves as a foundational example of how ternary sulfides can achieve structural stability while maintaining semiconducting properties, providing a benchmark for exploring other, less stable phases within the same chemical space.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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