FeBO3
Iron borate · Ferric borate
Iron borate is a stable, semiconducting oxide material utilized in catalytic research for oxygen-evolution processes.
About Iron borate
Iron borate is a thermodynamically stable compound that functions as a semiconducting oxide. Its structural integrity and electronic properties make it a subject of significant interest within the field of oxygen-evolution catalysts, where it is evaluated for its potential to facilitate electrochemical reactions.
As a member of the borate oxide family, this material is valued for its robust phase stability. It is studied for its catalytic behavior in energy-related applications, contributing to the broader understanding of how transition metal oxides can be optimized for efficient chemical transformations.
Key Properties
Cross-validated computational properties for Iron borate, 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 FeBO3, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 1.48 | 0.0000 | -8.269 | 4.22 |
| P21/c (No. 14) | monoclinic | 1.52 | 0.0919 | -8.177 | 3.79 |
| P63/mmc (No. 194) | hexagonal | 0.67 | 0.1025 | -8.167 | 3.22 |
| C2/c (No. 15) | monoclinic | 0.51 | 0.1027 | -8.166 | 3.24 |
| R-3c (No. 167) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.24 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.39 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.31 |
| P-1 (No. 2) | — | — | — | — | — |
| R-3c (No. 167) | Trigonal | — | — | — | 4.18 |
| R-3c (No. 167) | Trigonal | — | — | — | 4.11 |
| R-3c (No. 167) | Trigonal | — | — | — | 4.30 |
Applications
Where Iron borate is used.
Frequently Asked Questions
Common questions about Iron borate, answered from cross-validated data.
What is FeBO3?
Iron borate is a stable, semiconducting oxide material utilized in catalytic research for oxygen-evolution processes.
What is FeBO3 used for?
What is the band gap of FeBO3?
Is FeBO3 a metal, semiconductor, or insulator?
Is FeBO3 thermodynamically stable?
What is the crystal structure of FeBO3?
What is the density of FeBO3?
How many polymorphs of FeBO3 are known?
What elements does FeBO3 contain?
Where does the data for FeBO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the lithium-intercalation oxides such as LiCoO2 or LiMn2O4, which are primarily utilized for their ion-storage capabilities in battery cathodes, FeBO3 functions as a distinct semiconducting catalyst. While it shares the oxide classification with complex perovskites like LaMnO3 or BiFeO3, its unique boron-containing framework differentiates its catalytic surface activity from these more traditional transition metal perovskites.
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).
- mpaloe — Data from mpaloe.
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