ZrS2O9
ZrS2O9 is a semiconducting zirconium sulfur oxide that exists as a complex, metastable inorganic compound.
About ZrS2O9
ZrS2O9 is a complex inorganic compound containing zirconium, sulfur, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides or sulfides, making it an intriguing subject for fundamental materials research.
Due to its position above the thermodynamic hull, this material is considered metastable, which presents unique challenges and opportunities for synthesis. Its existence across multiple structural databases highlights its significance in the study of complex zirconium-based chemical systems.
Key Properties
Cross-validated computational properties for ZrS2O9, 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 ZrS2O9, answered from cross-validated data.
What is ZrS2O9?
ZrS2O9 is a semiconducting zirconium sulfur oxide that exists as a complex, metastable inorganic compound.
What is the band gap of ZrS2O9?
Is ZrS2O9 a metal, semiconductor, or insulator?
Is ZrS2O9 thermodynamically stable?
How many polymorphs of ZrS2O9 are known?
What elements does ZrS2O9 contain?
Where does the data for ZrS2O9 come from?
How It Compares
As a unique inorganic phase, ZrS2O9 represents a specialized stoichiometry within the broader landscape of zirconium-sulfur-oxygen compounds, serving as a distinct example of complex chalcogenide-oxide chemistry.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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