BaYFe2O5
BaYFe2O5 is a metastable semiconducting oxide compound belonging to the ferrite family of materials.
About BaYFe2O5
BaYFe2O5 is a complex oxide belonging to the broad family of spinel and hexagonal ferrites. Characterized by its semiconducting electronic nature, this compound represents a specialized material system that has garnered significant interest in structural research due to its distinct crystallographic arrangements. As a metastable phase, it requires precise synthesis conditions to maintain its structural integrity. Its role in the ferrite class is defined by the unique interplay between the barium, yttrium, and iron cations, which influences its potential utility in specialized electronic and magnetic applications.
Key Properties
Cross-validated computational properties for BaYFe2O5, 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 BaYFe2O5, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.47 | 0.0456 | -8.115 | 5.71 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0529 | -8.107 | 5.75 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmma (No. 51) | Orthorhombic | — | — | — | 5.71 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.22 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.75 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 6.00 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 6.12 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.01 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where BaYFe2O5 is used.
Frequently Asked Questions
Common questions about BaYFe2O5, answered from cross-validated data.
What is BaYFe2O5?
BaYFe2O5 is a metastable semiconducting oxide compound belonging to the ferrite family of materials.
What is BaYFe2O5 used for?
What is the band gap of BaYFe2O5?
Is BaYFe2O5 a metal, semiconductor, or insulator?
Is BaYFe2O5 thermodynamically stable?
What is the crystal structure of BaYFe2O5?
What is the density of BaYFe2O5?
How many polymorphs of BaYFe2O5 are known?
What elements does BaYFe2O5 contain?
Where does the data for BaYFe2O5 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the diverse landscape of ferrites, BaYFe2O5 occupies a niche position compared to more common spinel structures like MgFe2O4 or ZnFe2O4. While those simpler spinels are widely utilized for their robust magnetic properties, BaYFe2O5 offers a more complex, metastable framework that distinguishes it from the more stable, highly symmetric perovskite-related ferrites such as BaFeO3 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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