Fe2P3O10
Fe2P3O10 is a semiconducting iron phosphate oxide currently being researched for its potential as a catalyst in oxygen-evolution reactions.
About Fe2P3O10
Fe2P3O10 is a semiconducting iron-based phosphate oxide that functions within the broader category of oxygen-evolution catalysts. Its unique structural arrangement, characterized by its metastable nature, offers a distinct chemical environment for electrochemical processes. The material is of significant interest in materials science due to its specific electronic properties, which are being investigated for their role in facilitating efficient oxygen-evolution reactions. As a member of the phosphate-oxide family, it provides a different structural motif compared to traditional transition metal oxides.
Key Properties
Cross-validated computational properties for Fe2P3O10, 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.
Reported Structures
Lowest-energy structures reported for Fe2P3O10, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.38 | 0.0407 | -7.897 | 3.37 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.37 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.64 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.46 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Fe2P3O10 is used.
Frequently Asked Questions
Common questions about Fe2P3O10, answered from cross-validated data.
What is Fe2P3O10?
Fe2P3O10 is a semiconducting iron phosphate oxide currently being researched for its potential as a catalyst in oxygen-evolution reactions.
What is Fe2P3O10 used for?
What is the band gap of Fe2P3O10?
Is Fe2P3O10 a metal, semiconductor, or insulator?
Is Fe2P3O10 thermodynamically stable?
What is the crystal structure of Fe2P3O10?
What is the density of Fe2P3O10?
How many polymorphs of Fe2P3O10 are known?
What elements does Fe2P3O10 contain?
Where does the data for Fe2P3O10 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly studied and thermodynamically stable transition metal oxide frameworks like LiCoO2 or NiO, Fe2P3O10 exists in a metastable state, which often implies a more reactive or tunable surface chemistry for catalytic applications. While materials such as LaMnO3 or BiFeO3 are frequently explored for their robust perovskite-based catalytic activity, this iron phosphate represents a departure from those architectures, offering a different pathway for oxygen evolution that leverages its semiconducting nature.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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