F4Fe4O12Se4
F4Fe4O12Se4 is a thermodynamically stable, semiconducting iron-based compound composed of iron, selenium, oxygen, and fluorine.
About F4Fe4O12Se4
F4Fe4O12Se4 is a complex iron-based compound that occupies a stable position on the convex hull. Characterized by its semiconducting electronic behavior, this material represents a unique structural configuration within the broader family of iron-containing chalcogenides and oxy-compounds.
Its structural diversity is highlighted by multiple reported configurations, making it a subject of interest for fundamental materials science. By integrating iron with selenium, oxygen, and fluorine, this compound provides a distinct chemical environment that contrasts with simpler binary iron systems.
Key Properties
Cross-validated computational properties for F4Fe4O12Se4, 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 F4Fe4O12Se4, 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/c (No. 14) | monoclinic | 1.43 | 0.0000 | -6.479 | 4.18 |
| — | — | — | — | — | 3.02 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
| No. 0 | unknown | — | — | — | 1.09 |
Applications
Where F4Fe4O12Se4 is used.
Frequently Asked Questions
Common questions about F4Fe4O12Se4, answered from cross-validated data.
What is F4Fe4O12Se4?
F4Fe4O12Se4 is a thermodynamically stable, semiconducting iron-based compound composed of iron, selenium, oxygen, and fluorine.
What is F4Fe4O12Se4 used for?
What is the band gap of F4Fe4O12Se4?
Is F4Fe4O12Se4 a metal, semiconductor, or insulator?
Is F4Fe4O12Se4 thermodynamically stable?
What is the crystal structure of F4Fe4O12Se4?
What is the density of F4Fe4O12Se4?
How many polymorphs of F4Fe4O12Se4 are known?
What elements does F4Fe4O12Se4 contain?
Where does the data for F4Fe4O12Se4 come from?
How It Compares
Within the iron-based superconductors class.
While many members of the iron-based class, such as FeSe, are widely recognized for their superconducting properties, F4Fe4O12Se4 distinguishes itself through its semiconducting electronic character and complex quaternary composition. Unlike the simpler iron-arsenic or iron-tellurium binaries like FeAs2 or FeTe2, this compound incorporates oxygen and fluorine to achieve thermodynamic stability, positioning it as a specialized structural variant rather than a conventional metallic superconductor.
Related Compounds
Other Iron-Based Superconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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