Fe4H14O13
Fe4H14O13 is a semiconducting iron-based oxide investigated for its potential as a catalyst in oxygen-evolution reactions.
About Fe4H14O13
Fe4H14O13 is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its unique structural composition positions it as a subject of interest for researchers focused on improving the efficiency of electrochemical water splitting processes.
As a metastable material, it offers distinct pathways for catalytic activity compared to more conventional, highly stable ceramic oxides. Its electronic properties are central to its potential utility in sustainable energy technologies where efficient charge transfer is required for gas evolution reactions.
Key Properties
Cross-validated computational properties for Fe4H14O13, aggregated across 2 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 Fe4H14O13, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.0853 | -6.035 | 3.15 |
| P1 (No. 1) | triclinic | 1.84 | 0.0867 | -6.033 | 3.19 |
| P-1 (No. 2) | triclinic | 1.81 | 0.1206 | -5.999 | 3.17 |
| P-1 (No. 2) | triclinic | 0.00 | 3.0159 | -3.104 | 3.17 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.17 |
| P1 (No. 1) | Triclinic | — | — | — | 3.32 |
| P1 (No. 1) | Triclinic | — | — | — | 3.19 |
| P1 (No. 1) | Triclinic | — | — | — | 3.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.27 |
| P1 (No. 1) | Triclinic | — | — | — | 3.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.37 |
| P1 (No. 1) | Triclinic | — | — | — | 3.15 |
Applications
Where Fe4H14O13 is used.
Frequently Asked Questions
Common questions about Fe4H14O13, answered from cross-validated data.
What is Fe4H14O13?
Fe4H14O13 is a semiconducting iron-based oxide investigated for its potential as a catalyst in oxygen-evolution reactions.
What is Fe4H14O13 used for?
What is the band gap of Fe4H14O13?
Is Fe4H14O13 a metal, semiconductor, or insulator?
Is Fe4H14O13 thermodynamically stable?
What is the crystal structure of Fe4H14O13?
What is the density of Fe4H14O13?
How many polymorphs of Fe4H14O13 are known?
What elements does Fe4H14O13 contain?
Where does the data for Fe4H14O13 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized commercial cathode materials such as LiCoO2 or LiMn2O4, Fe4H14O13 is characterized by its metastable nature, which often provides different surface reactivity profiles. While siblings like BiFeO3 are frequently studied for their ferroic properties, this iron-based oxide is specifically investigated for its catalytic potential in electrochemical environments.
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.
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