FePS
FePS is a thermodynamically stable semiconducting ternary compound consisting of iron, phosphorus, and sulfur.
About FePS
FePS is a ternary compound composed of iron, phosphorus, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust material configuration that has garnered interest for its structural integrity and predictable formation behavior.
This material exhibits semiconducting electronic characteristics, making it a subject of interest for fundamental studies in solid-state physics. With multiple reported structures across various databases, it serves as an important entry point for researchers investigating the interplay between transition metals and chalcogenide-pnictide frameworks.
Key Properties
Cross-validated computational properties for FePS, 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 FePS is used.
Frequently Asked Questions
Common questions about FePS, answered from cross-validated data.
What is FePS?
FePS is a thermodynamically stable semiconducting ternary compound consisting of iron, phosphorus, and sulfur.
What is FePS used for?
What is the band gap of FePS?
Is FePS a metal, semiconductor, or insulator?
Is FePS thermodynamically stable?
How many polymorphs of FePS are known?
What elements does FePS contain?
Where does the data for FePS come from?
How It Compares
As a distinct ternary phase, FePS occupies a unique position in materials science, serving as a foundational reference point for studying iron-based pnictide-chalcogenide systems. Its thermodynamic stability distinguishes it as a reliable candidate for experimental synthesis compared to more metastable or exotic phases within similar chemical families.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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