S20Y8Zr4
S20Y8Zr4 is a thermodynamically stable semiconducting sulfide material containing yttrium and zirconium.
About S20Y8Zr4
S20Y8Zr4 is a complex sulfide compound composed of yttrium, zirconium, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that has been identified across multiple structural databases.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers exploring the interplay between rare-earth elements and transition metals in chalcogenide frameworks. Its existence in several distinct structural forms highlights the versatility of the yttrium-zirconium-sulfur system.
Key Properties
Cross-validated computational properties for S20Y8Zr4, 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.
Frequently Asked Questions
Common questions about S20Y8Zr4, answered from cross-validated data.
What is S20Y8Zr4?
S20Y8Zr4 is a thermodynamically stable semiconducting sulfide material containing yttrium and zirconium.
What is the band gap of S20Y8Zr4?
Is S20Y8Zr4 a metal, semiconductor, or insulator?
Is S20Y8Zr4 thermodynamically stable?
How many polymorphs of S20Y8Zr4 are known?
What elements does S20Y8Zr4 contain?
Where does the data for S20Y8Zr4 come from?
How It Compares
As a unique member of the sulfide material class, S20Y8Zr4 serves as a benchmark for stability in complex ternary systems where yttrium and zirconium are combined with sulfur. It occupies a distinct niche in solid-state chemistry, providing a stable structural reference point for exploring semiconducting properties in multi-component sulfide frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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