BaDyFe4O7
BaDyFe4O7 is a metastable, semiconducting hexagonal ferrite compound characterized by its complex crystalline structure and potential for advanced magnetic research.
About BaDyFe4O7
BaDyFe4O7 is a complex oxide belonging to the hexagonal ferrite family. As a semiconducting material, it exhibits distinct electronic behavior that differentiates it from conventional insulating ferrites, making it a subject of interest for fundamental studies in condensed matter physics.
This compound exists in a metastable state, requiring precise synthesis conditions to stabilize its crystalline framework. Its structural complexity and the presence of rare-earth dysprosium ions contribute to its potential utility in specialized magnetic and electronic applications where tunable properties are required.
Key Properties
Cross-validated computational properties for BaDyFe4O7, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BaDyFe4O7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BaDyFe4O7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.74 | 0.0257 | -7.998 | 5.54 |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0663 | -7.957 | 5.60 |
| F-43m (No. 216) | cubic | 0.05 | 0.0717 | -1.973 | — |
| F-43m (No. 216) | cubic | 0.05 | 0.0717 | -1.973 | — |
| — | — | 0.00 | 0.0820 | -2.150 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.1951 | -7.828 | 5.61 |
Applications
Where BaDyFe4O7 is used.
Frequently Asked Questions
Common questions about BaDyFe4O7, answered from cross-validated data.
What is BaDyFe4O7?
BaDyFe4O7 is a metastable, semiconducting hexagonal ferrite compound characterized by its complex crystalline structure and potential for advanced magnetic research.
What is BaDyFe4O7 used for?
What is the band gap of BaDyFe4O7?
Is BaDyFe4O7 a metal, semiconductor, or insulator?
Is BaDyFe4O7 thermodynamically stable?
What is the crystal structure of BaDyFe4O7?
What is the density of BaDyFe4O7?
How many polymorphs of BaDyFe4O7 are known?
What elements does BaDyFe4O7 contain?
Where does the data for BaDyFe4O7 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the diverse class of ferrites, BaDyFe4O7 stands out for its structural intricacy compared to simpler spinel ferrites like MgFe2O4 or MnFe2O4. While many spinel members are widely utilized for their robust magnetic properties, BaDyFe4O7 represents a more exotic, metastable phase that offers a different structural landscape than the cubic perovskite-related structures found in BaFeO3 or SrFeO3.
Related Compounds
Other Spinel and Hexagonal Ferrites in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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