HoFeO3
holmium orthoferrite
HoFeO3 is a semiconducting holmium iron oxide that serves as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
About holmium orthoferrite
HoFeO3 is a semiconducting orthoferrite that belongs to the broader class of oxide oxygen-evolution catalysts. Its structural configuration and electronic properties make it a subject of interest for researchers investigating efficient water-splitting technologies and sustainable energy conversion processes.
As a near-hull stable compound, it is considered a viable candidate for experimental synthesis and characterization. Its potential utility lies in its ability to facilitate electrochemical reactions, positioning it as a functional material for future catalytic developments in energy-related fields.
Key Properties
Cross-validated computational properties for holmium orthoferrite, 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 HoFeO3, 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 | 1.57 | 0.0123 | -8.437 | 7.97 |
| Pnma (No. 62) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting HoFeO3.
Applications
Where holmium orthoferrite is used.
Frequently Asked Questions
Common questions about holmium orthoferrite, answered from cross-validated data.
What is HoFeO3?
HoFeO3 is a semiconducting holmium iron oxide that serves as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
What is HoFeO3 used for?
What is the band gap of HoFeO3?
Is HoFeO3 a metal, semiconductor, or insulator?
Is HoFeO3 thermodynamically stable?
What is the crystal structure of HoFeO3?
What is the density of HoFeO3?
How many polymorphs of HoFeO3 are known?
How is HoFeO3 synthesized?
What elements does HoFeO3 contain?
Where does the data for HoFeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide catalysts, HoFeO3 shares structural similarities with other perovskite-type oxides like LaMnO3 and BiFeO3. While materials such as LiCoO2 and LiNiO2 are primarily recognized for their roles in battery cathode technologies, HoFeO3 is distinguished by its specific orthoferrite framework, which offers a different electronic environment for surface-active oxygen evolution compared to the simpler binary oxides like NiO.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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