BaLaFeO4
BaLaFeO4 is a metastable semiconducting oxide compound containing barium, lanthanum, and iron that is primarily used in materials science research.
About BaLaFeO4
BaLaFeO4 is a complex oxide belonging to the ferrite class, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the iron-based oxide family, offering researchers a distinct platform for studying transition metal coordination in oxygen-rich environments. Its existence is supported by multiple reported structural variations, reflecting the flexibility of its lattice under different synthesis conditions. This compound is primarily of interest in materials science research, where its specific electronic properties are evaluated for potential integration into functional oxide systems. By exploring the interplay between the barium, lanthanum, and iron cations, scientists aim to better understand the stability and performance limits of metastable ferrites in advanced electronic applications.
Key Properties
Cross-validated computational properties for BaLaFeO4, 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 BaLaFeO4, 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. |
|---|---|---|---|---|---|
| I4mm (No. 107) | tetragonal | 0.69 | 0.0503 | -7.844 | 6.30 |
| I4mm (No. 107) | Tetragonal | — | — | — | 6.30 |
| I4mm (No. 107) | Tetragonal | — | — | — | 6.71 |
| I4mm (No. 107) | Tetragonal | — | — | — | 6.52 |
| I4mm (No. 107) | — | — | — | — | — |
Applications
Where BaLaFeO4 is used.
Frequently Asked Questions
Common questions about BaLaFeO4, answered from cross-validated data.
What is BaLaFeO4?
BaLaFeO4 is a metastable semiconducting oxide compound containing barium, lanthanum, and iron that is primarily used in materials science research.
What is BaLaFeO4 used for?
What is the band gap of BaLaFeO4?
Is BaLaFeO4 a metal, semiconductor, or insulator?
Is BaLaFeO4 thermodynamically stable?
What is the crystal structure of BaLaFeO4?
What is the density of BaLaFeO4?
How many polymorphs of BaLaFeO4 are known?
What elements does BaLaFeO4 contain?
Where does the data for BaLaFeO4 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Unlike the highly stable and widely utilized spinel ferrites such as MgFe2O4 or ZnFe2O4, BaLaFeO4 exhibits a metastable character that necessitates precise control during synthesis. While members like BaFeO3 or SrFeO3 are frequently studied for their robust magnetic and conductive properties, BaLaFeO4 occupies a more specialized niche, serving as a structural bridge between simpler binary ferrites and more complex perovskite-related frameworks.
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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