NiP3
NiP3 is a thermodynamically stable metallic nickel phosphide used as a catalyst in chemical and electrochemical processes.
About NiP3
NiP3 is a metallic transition-metal phosphide that occupies a stable position on the thermodynamic convex hull. Its robust structural integrity and electronic properties make it a subject of significant interest within the broader family of metal-phosphorus compounds used for catalytic applications. As a data-rich material with numerous reported structural configurations, NiP3 serves as a foundational component in the development of efficient catalytic systems. Its metallic character facilitates charge transfer, which is essential for its performance in various electrochemical and chemical transformation processes.
Key Properties
Cross-validated computational properties for NiP3, aggregated across 4 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 NiP3 is used.
Frequently Asked Questions
Common questions about NiP3, answered from cross-validated data.
What is NiP3?
NiP3 is a thermodynamically stable metallic nickel phosphide used as a catalyst in chemical and electrochemical processes.
What is NiP3 used for?
What is the band gap of NiP3?
Is NiP3 a metal, semiconductor, or insulator?
Is NiP3 thermodynamically stable?
How many polymorphs of NiP3 are known?
What elements does NiP3 contain?
Where does the data for NiP3 come from?
How It Compares
Within the transition-metal phosphide catalysts class.
Within the diverse class of transition-metal phosphides, NiP3 is distinguished by its high phosphorus content compared to more common phases like Ni2P or NiP. While many siblings in this group are utilized for their specific stoichiometric ratios in catalytic cycles, NiP3 represents a unique structural endpoint that offers different surface reactivity profiles compared to the more metal-rich nickel phosphides.
Related Compounds
Other Transition-Metal Phosphide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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