O18S2Zr6
O18S2Zr6 is an insulating, complex zirconium-based compound that is thermodynamically unstable.
About O18S2Zr6
O18S2Zr6 is a complex inorganic compound composed of zirconium, oxygen, and sulfur. As a wide-gap insulator, it exhibits electronic properties characteristic of materials that do not readily conduct electricity under standard conditions.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable, which presents challenges for synthesis and long-term structural integrity. It remains a subject of theoretical interest within materials science databases for its unique elemental composition.
Key Properties
Cross-validated computational properties for O18S2Zr6, 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 O18S2Zr6, answered from cross-validated data.
What is O18S2Zr6?
O18S2Zr6 is an insulating, complex zirconium-based compound that is thermodynamically unstable.
What is the band gap of O18S2Zr6?
Is O18S2Zr6 a metal, semiconductor, or insulator?
Is O18S2Zr6 thermodynamically stable?
How many polymorphs of O18S2Zr6 are known?
What elements does O18S2Zr6 contain?
Where does the data for O18S2Zr6 come from?
How It Compares
As a specialized zirconium-based phase, O18S2Zr6 occupies a niche position in materials research. Unlike more common, highly stable zirconium oxides or sulfides, this compound represents a more complex, less frequently observed structural arrangement that requires specific conditions to exist.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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