Fe10OF19
Fe10OF19 is a semiconducting iron oxyfluoride material investigated for its potential role in catalytic oxygen-evolution processes.
About Fe10OF19
Fe10OF19 is a semiconducting oxyfluoride that functions within the broader class of oxide oxygen-evolution catalysts. Its unique composition of iron, oxygen, and fluorine allows it to participate in complex redox reactions, making it a subject of interest for advanced electrochemical energy conversion processes. The material is characterized by its near-hull thermodynamic stability, suggesting it is a viable candidate for synthesis and experimental investigation. With multiple reported structures across research databases, it represents a significant, if specialized, entry in the study of transition metal-based catalytic materials.
Key Properties
Cross-validated computational properties for Fe10OF19, 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 Fe10OF19, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 1.38 | 0.0201 | -6.724 | 4.08 |
| Amm2 (No. 38) | orthorhombic | 1.50 | 0.0203 | -6.724 | 4.09 |
| P1 (No. 1) | triclinic | 2.00 | 0.0260 | -6.718 | 4.07 |
| Amm2 (No. 38) | orthorhombic | 1.90 | 0.0288 | -6.716 | 4.08 |
| P1 (No. 1) | triclinic | 1.97 | 0.0298 | -6.715 | 4.09 |
| P1 (No. 1) | triclinic | 0.49 | 0.0641 | -6.680 | 4.11 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.08 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.39 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.35 |
| P1 (No. 1) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
Applications
Where Fe10OF19 is used.
Frequently Asked Questions
Common questions about Fe10OF19, answered from cross-validated data.
What is Fe10OF19?
Fe10OF19 is a semiconducting iron oxyfluoride material investigated for its potential role in catalytic oxygen-evolution processes.
What is Fe10OF19 used for?
What is the band gap of Fe10OF19?
Is Fe10OF19 a metal, semiconductor, or insulator?
Is Fe10OF19 thermodynamically stable?
What is the crystal structure of Fe10OF19?
What is the density of Fe10OF19?
How many polymorphs of Fe10OF19 are known?
What elements does Fe10OF19 contain?
Where does the data for Fe10OF19 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the well-established commercial cathode materials such as LiCoO2 or LiMn2O4, Fe10OF19 occupies a more niche position within the oxide catalyst landscape. While perovskite-structured members like LaNiO3 or BiFeO3 are frequently studied for their specific magnetic and catalytic properties, Fe10OF19 offers a distinct structural motif that differentiates it from the standard oxide-based oxygen-evolution catalysts.
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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