FeP2O7
Iron pyrophosphate · Ferric pyrophosphate
FeP2O7 is a semiconducting iron pyrophosphate compound primarily investigated for its potential role as a catalyst in oxygen-evolution reactions.
About Iron pyrophosphate
FeP2O7 is a semiconducting iron-based pyrophosphate that functions within the broader class of oxide oxygen-evolution catalysts. Its structural framework, characterized by a complex arrangement of polyhedra, makes it a subject of significant interest for researchers investigating electrochemical water splitting and energy storage mechanisms.
As a metastable phase, this compound offers unique pathways for surface reactivity that differ from more traditional, highly stable oxides. Its electronic properties are tailored by the iron centers, which facilitate charge transfer processes essential for catalytic activity in various electrochemical environments.
Key Properties
Cross-validated computational properties for Iron pyrophosphate, 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 FeP2O7, 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/c (No. 14) | monoclinic | 0.00 | 0.0547 | -7.656 | 2.71 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0588 | -7.652 | 2.80 |
| P21/c (No. 14) | monoclinic | 0.12 | 0.0595 | -7.651 | 2.74 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0761 | -7.634 | 2.93 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0776 | -7.633 | 2.96 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0851 | -7.625 | 3.15 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0930 | -7.617 | 2.66 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1013 | -7.609 | 2.94 |
| P21/c (No. 14) | monoclinic | 0.18 | 0.1145 | -7.596 | 2.99 |
| P21/c (No. 14) | monoclinic | 0.37 | 0.1157 | -7.595 | 2.73 |
| Cc (No. 9) | monoclinic | 0.00 | 0.1234 | -7.587 | 2.97 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1624 | -7.548 | 2.79 |
Applications
Where Iron pyrophosphate is used.
Frequently Asked Questions
Common questions about Iron pyrophosphate, answered from cross-validated data.
What is FeP2O7?
FeP2O7 is a semiconducting iron pyrophosphate compound primarily investigated for its potential role as a catalyst in oxygen-evolution reactions.
What is FeP2O7 used for?
What is the band gap of FeP2O7?
Is FeP2O7 a metal, semiconductor, or insulator?
Is FeP2O7 thermodynamically stable?
What is the crystal structure of FeP2O7?
What is the density of FeP2O7?
How many polymorphs of FeP2O7 are known?
What elements does FeP2O7 contain?
Where does the data for FeP2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, FeP2O7 occupies a distinct niche compared to transition metal oxides like NiO or perovskites such as LaMnO3. While many of its siblings rely on highly symmetric crystal structures to drive catalytic performance, FeP2O7 utilizes its metastable nature and phosphate-linked architecture to provide an alternative electronic environment for oxygen evolution reactions.
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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