FeOF
Iron oxyfluoride · Iron(III) oxyfluoride
Iron oxyfluoride is an inorganic compound that functions as a cathode material in advanced energy storage systems. It is primarily researched for its potential to provide high capacity and stability in next-generation rechargeable batteries.
Key Properties
Cross-validated computational properties for Iron oxyfluoride, 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 FeOF, 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. |
|---|---|---|---|---|---|
| P42/m (No. 84) | tetragonal | 0.00 | 0.0123 | -7.224 | 4.55 |
| Pmn21 (No. 31) | orthorhombic | 1.19 | 0.0147 | -7.221 | 4.50 |
| Pnma (No. 62) | orthorhombic | 1.28 | 0.0159 | -7.220 | 4.27 |
| Pmc21 (No. 26) | orthorhombic | 1.26 | 0.0162 | -7.220 | 4.52 |
| I41/a (No. 88) | tetragonal | 2.43 | 0.0163 | -7.220 | 4.48 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0165 | -7.220 | 4.60 |
| P21/c (No. 14) | monoclinic | 0.01 | 0.0260 | -7.210 | 4.42 |
| P41212 (No. 92) | tetragonal | 0.00 | 0.0316 | -7.205 | 4.37 |
| P21 (No. 4) | monoclinic | 1.79 | 0.0395 | -7.197 | 4.32 |
| Pmmn (No. 59) | orthorhombic | 1.73 | 0.0419 | -7.194 | 3.66 |
| Pm (No. 6) | monoclinic | 0.47 | 0.0476 | -7.189 | 4.31 |
| P-1 (No. 2) | triclinic | 1.58 | 0.0547 | -7.182 | 4.32 |
Applications
Where Iron oxyfluoride is used.
Frequently Asked Questions
Common questions about Iron oxyfluoride, answered from cross-validated data.
What is FeOF?
Iron oxyfluoride is an inorganic compound that functions as a cathode material in advanced energy storage systems. It is primarily researched for its potential to provide high capacity and stability in next-generation rechargeable batteries.
What is FeOF used for?
What is the band gap of FeOF?
Is FeOF a metal, semiconductor, or insulator?
Is FeOF thermodynamically stable?
What is the crystal structure of FeOF?
What is the density of FeOF?
How many polymorphs of FeOF are known?
What elements does FeOF contain?
Where does the data for FeOF come from?
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).
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