Fe2PO4F
Fe2PO4F is a thermodynamically stable, semiconducting transition-metal phosphate used in materials science research.
About Fe2PO4F
Fe2PO4F is a transition-metal phosphate that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of iron, phosphorus, oxygen, and fluorine atoms, making it a subject of interest for materials research.
This compound belongs to a versatile class of materials often investigated for their electrochemical properties. Its stability and composition suggest potential utility in applications where structural integrity and electronic control are paramount, particularly within the field of battery technology and ion-conducting frameworks.
Key Properties
Cross-validated computational properties for Fe2PO4F, 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 Fe2PO4F is used.
Frequently Asked Questions
Common questions about Fe2PO4F, answered from cross-validated data.
What is Fe2PO4F?
Fe2PO4F is a thermodynamically stable, semiconducting transition-metal phosphate used in materials science research.
What is Fe2PO4F used for?
What is the band gap of Fe2PO4F?
Is Fe2PO4F a metal, semiconductor, or insulator?
Is Fe2PO4F thermodynamically stable?
How many polymorphs of Fe2PO4F are known?
What elements does Fe2PO4F contain?
Where does the data for Fe2PO4F come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse family of transition-metal phosphates, Fe2PO4F distinguishes itself from well-known battery cathode materials like LiFePO4 and LiMnPO4 by its unique stoichiometry and anionic framework. While many members of this class are optimized for lithium-ion intercalation, Fe2PO4F offers a distinct structural template that complements the electrochemical versatility found in related compounds such as FePO4 and LiCoPO4.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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