O3P1Zr1
zirconium phosphite · ZrPO3
Zirconium phosphite is a stable, wide-gap insulating compound composed of zirconium, phosphorus, and oxygen.
About zirconium phosphite
Zirconium phosphite is a solid-state inorganic compound characterized by its wide-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and functional applications in materials science.
Its composition of zirconium, phosphorus, and oxygen allows for unique coordination environments that are of interest in chemical synthesis and catalysis. The material is recognized for its structural versatility, with multiple reported configurations that highlight its complex bonding behavior.
Key Properties
Cross-validated computational properties for zirconium phosphite, 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 zirconium phosphite is used.
Frequently Asked Questions
Common questions about zirconium phosphite, answered from cross-validated data.
What is O3P1Zr1?
Zirconium phosphite is a stable, wide-gap insulating compound composed of zirconium, phosphorus, and oxygen.
What is O3P1Zr1 used for?
What is the band gap of O3P1Zr1?
Is O3P1Zr1 a metal, semiconductor, or insulator?
Is O3P1Zr1 thermodynamically stable?
How many polymorphs of O3P1Zr1 are known?
What elements does O3P1Zr1 contain?
Where does the data for O3P1Zr1 come from?
How It Compares
As a stable inorganic phase, zirconium phosphite represents a foundational building block in the study of zirconium-based oxyphosphides, serving as a benchmark for stability and structural integrity within this chemical family.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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