Fe2O8Si2
Fe2O8Si2 is a semiconducting iron-silicate oxide being explored as a potential candidate for oxygen-evolution catalysis.
About Fe2O8Si2
Fe2O8Si2 is a complex iron-based silicate oxide categorized within the broader field of oxygen-evolution catalysts. As a semiconducting material, it represents a specialized area of study for researchers aiming to optimize catalytic efficiency in electrochemical systems.
While the compound is currently identified as being above the thermodynamic hull, its existence across multiple structural configurations makes it a subject of interest for computational materials science. Understanding its stability and electronic behavior is essential for evaluating its potential in future catalytic applications.
Key Properties
Cross-validated computational properties for Fe2O8Si2, 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 Fe2O8Si2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.61 | 0.2644 | -7.698 | 2.58 |
| P21/c (No. 14) | monoclinic | 0.69 | 0.2699 | -7.692 | 2.70 |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.2795 | -7.683 | 2.43 |
| Ia-3d (No. 230) | cubic | 0.01 | 0.4352 | -7.527 | 3.85 |
| Pmn21 (No. 31) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.53 |
Applications
Where Fe2O8Si2 is used.
Frequently Asked Questions
Common questions about Fe2O8Si2, answered from cross-validated data.
What is Fe2O8Si2?
Fe2O8Si2 is a semiconducting iron-silicate oxide being explored as a potential candidate for oxygen-evolution catalysis.
What is Fe2O8Si2 used for?
What is the band gap of Fe2O8Si2?
Is Fe2O8Si2 a metal, semiconductor, or insulator?
Is Fe2O8Si2 thermodynamically stable?
What is the crystal structure of Fe2O8Si2?
What is the density of Fe2O8Si2?
How many polymorphs of Fe2O8Si2 are known?
What elements does Fe2O8Si2 contain?
Where does the data for Fe2O8Si2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike highly stable and widely utilized class members such as LiCoO2 or NiO, Fe2O8Si2 occupies a more experimental space within the oxide catalyst family. While perovskite-structured materials like LaMnO3 and BiFeO3 are frequently employed for their robust catalytic performance, Fe2O8Si2 remains a less conventional candidate that highlights the diversity of iron-silicate frameworks compared to standard transition metal oxides.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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