O3S1Zr1
O3S1Zr1 is a semiconducting zirconium oxysulfide compound that exists in a metastable state.
About O3S1Zr1
O3S1Zr1 is a complex zirconium oxysulfide that exhibits semiconducting electronic behavior. Its composition suggests a delicate balance between oxygen and sulfur coordination around the zirconium center, which influences its potential for specialized electronic applications.
Due to its position relative to the thermodynamic ground state, this material is considered metastable. This instability makes it a subject of interest for researchers investigating synthetic pathways to stabilize unconventional zirconium-based phases for advanced material design.
Key Properties
Cross-validated computational properties for O3S1Zr1, 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 O3S1Zr1 is used.
Frequently Asked Questions
Common questions about O3S1Zr1, answered from cross-validated data.
What is O3S1Zr1?
O3S1Zr1 is a semiconducting zirconium oxysulfide compound that exists in a metastable state.
What is O3S1Zr1 used for?
What is the band gap of O3S1Zr1?
Is O3S1Zr1 a metal, semiconductor, or insulator?
Is O3S1Zr1 thermodynamically stable?
How many polymorphs of O3S1Zr1 are known?
What elements does O3S1Zr1 contain?
Where does the data for O3S1Zr1 come from?
How It Compares
As an unclassified material with limited structural data, O3S1Zr1 represents an exploratory entry in the field of zirconium oxysulfides. It serves as a candidate for fundamental research into how anionic mixing affects the electronic landscape of transition metal compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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