Ba6Cl4Fe4O10
Ba6Cl4Fe4O10 is a thermodynamically stable semiconducting oxyhalide ferrite used in advanced materials research.
About Ba6Cl4Fe4O10
Ba6Cl4Fe4O10 is a complex oxyhalide ferrite that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a semiconducting member of the broader ferrite family, it exhibits unique electronic characteristics governed by its specific atomic arrangement of barium, chlorine, iron, and oxygen.
This material is of significant interest for researchers investigating the intersection of magnetic oxides and halide chemistry. Its stable configuration makes it a compelling candidate for further exploration in advanced functional materials where precise electronic control is required.
Key Properties
Cross-validated computational properties for Ba6Cl4Fe4O10, 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 Ba6Cl4Fe4O10, 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. |
|---|---|---|---|---|---|
| I213 (No. 199) | cubic | 2.45 | 0.0000 | -6.793 | 4.30 |
| I213 (No. 199) | — | — | — | — | — |
| — | — | — | — | — | 3.86 |
Applications
Where Ba6Cl4Fe4O10 is used.
Frequently Asked Questions
Common questions about Ba6Cl4Fe4O10, answered from cross-validated data.
What is Ba6Cl4Fe4O10?
Ba6Cl4Fe4O10 is a thermodynamically stable semiconducting oxyhalide ferrite used in advanced materials research.
What is Ba6Cl4Fe4O10 used for?
What is the band gap of Ba6Cl4Fe4O10?
Is Ba6Cl4Fe4O10 a metal, semiconductor, or insulator?
Is Ba6Cl4Fe4O10 thermodynamically stable?
What is the crystal structure of Ba6Cl4Fe4O10?
What is the density of Ba6Cl4Fe4O10?
How many polymorphs of Ba6Cl4Fe4O10 are known?
What elements does Ba6Cl4Fe4O10 contain?
Where does the data for Ba6Cl4Fe4O10 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Unlike the common spinel ferrites such as MgFe2O4 or ZnFe2O4, which typically adopt a cubic structure, Ba6Cl4Fe4O10 represents a more complex structural derivative within the ferrite class. While compounds like BaFeO3 and SrFeO3 focus on perovskite-related architectures, this oxyhalide variant incorporates chlorine into the lattice to achieve its distinct stable state, setting it apart from standard transition metal oxides like MnFe2O4.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Ba6Cl4Fe4O10 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →