MgFeBO4
MgFeBO4 is a metastable, semiconducting iron-based borate that serves as a structurally unique member of the ferrite and spinel-related material class.
About MgFeBO4
MgFeBO4 is a complex inorganic compound belonging to the broader class of spinel and hexagonal ferrites. As a semiconducting material, it exhibits distinct electronic properties that differentiate it from more traditional oxide insulators, making it a subject of interest for fundamental solid-state research.
Despite its status as a metastable phase, the compound has been documented across multiple structural databases. Its existence highlights the chemical versatility of iron-based borates and their potential for structural diversity within the ferrite-related landscape.
Key Properties
Cross-validated computational properties for MgFeBO4, 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 MgFeBO4, 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 | 1.87 | 0.0256 | -7.764 | 3.70 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.70 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.90 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.79 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where MgFeBO4 is used.
Frequently Asked Questions
Common questions about MgFeBO4, answered from cross-validated data.
What is MgFeBO4?
MgFeBO4 is a metastable, semiconducting iron-based borate that serves as a structurally unique member of the ferrite and spinel-related material class.
What is MgFeBO4 used for?
What is the band gap of MgFeBO4?
Is MgFeBO4 a metal, semiconductor, or insulator?
Is MgFeBO4 thermodynamically stable?
What is the crystal structure of MgFeBO4?
What is the density of MgFeBO4?
How many polymorphs of MgFeBO4 are known?
What elements does MgFeBO4 contain?
Where does the data for MgFeBO4 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the diverse family of ferrites and spinel-related oxides, MgFeBO4 occupies a specialized niche compared to more common spinel structures like MgFe2O4 or ZnFe2O4. While those materials are typically characterized by their stable spinel frameworks, MgFeBO4 incorporates boron into its lattice, leading to a distinct structural arrangement that deviates from the standard ferrite stoichiometry found in compounds like MnFe2O4 or SrFeO3.
Related Compounds
Other Spinel and Hexagonal Ferrites 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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