Ba2FeO6V
Ba2FeO6V is a semiconducting complex oxide belonging to the ferrite family that is currently studied for its unique structural properties.
About Ba2FeO6V
Ba2FeO6V is a complex oxide belonging to the broader family of ferrite materials. As a semiconducting compound, it represents an intriguing intersection of iron-based magnetic oxides and barium-based structural frameworks, offering potential for specialized electronic applications where specific oxidation states are required.
While this material exhibits a complex structural arrangement, its thermodynamic profile suggests it exists above the stability hull. This characteristic makes it a subject of interest for researchers studying metastable phases and the synthesis of complex ferrites that deviate from standard structural archetypes.
Key Properties
Cross-validated computational properties for Ba2FeO6V, 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 Ba2FeO6V, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 1.04 | 0.1008 | -7.701 | 6.11 |
| P63/mmc (No. 194) | hexagonal | 0.68 | 0.1247 | -7.677 | 5.94 |
| Fm-3m (No. 225) | cubic | 0.00 | 2.2720 | -5.529 | 4.04 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 4.03 |
| — | — | — | — | — | 4.03 |
Applications
Where Ba2FeO6V is used.
Frequently Asked Questions
Common questions about Ba2FeO6V, answered from cross-validated data.
What is Ba2FeO6V?
Ba2FeO6V is a semiconducting complex oxide belonging to the ferrite family that is currently studied for its unique structural properties.
What is Ba2FeO6V used for?
What is the band gap of Ba2FeO6V?
Is Ba2FeO6V a metal, semiconductor, or insulator?
Is Ba2FeO6V thermodynamically stable?
What is the crystal structure of Ba2FeO6V?
What is the density of Ba2FeO6V?
How many polymorphs of Ba2FeO6V are known?
What elements does Ba2FeO6V contain?
Where does the data for Ba2FeO6V 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, Ba2FeO6V occupies a more precarious thermodynamic position. While compounds like Sr2FeMoO6 are celebrated for their robust electronic properties, Ba2FeO6V is distinguished by its unique stoichiometry and its status as a less common, potentially unstable variant within the expansive landscape of barium-iron oxides.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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