F12I4O4
F12I4O4 is a thermodynamically stable, wide-band-gap insulating compound composed of fluorine, iodine, and oxygen.
About F12I4O4
F12I4O4 is a complex inorganic compound composed of fluorine, iodine, and oxygen. As a thermodynamically stable material located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined by a wide-band-gap insulating nature, which limits its electrical conductivity and suggests potential utility in specialized dielectric or optical applications. The existence of multiple reported structural variations across databases highlights its versatility in solid-state chemistry. This compound is of significant interest for researchers studying the interplay between highly electronegative fluorine and heavier halogen-oxygen frameworks. Its stability makes it a compelling subject for further investigation into its chemical reactivity and potential as a precursor for functional materials.
Key Properties
Cross-validated computational properties for F12I4O4, 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 F12I4O4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.64 | 0.0000 | -4.090 | 4.35 |
| P212121 (No. 19) | — | — | — | — | — |
| — | — | — | — | — | 3.74 |
| — | — | — | — | — | 3.74 |
Applications
Where F12I4O4 is used.
Frequently Asked Questions
Common questions about F12I4O4, answered from cross-validated data.
What is F12I4O4?
F12I4O4 is a thermodynamically stable, wide-band-gap insulating compound composed of fluorine, iodine, and oxygen.
What is F12I4O4 used for?
What is the band gap of F12I4O4?
Is F12I4O4 a metal, semiconductor, or insulator?
Is F12I4O4 thermodynamically stable?
What is the crystal structure of F12I4O4?
What is the density of F12I4O4?
How many polymorphs of F12I4O4 are known?
What elements does F12I4O4 contain?
Where does the data for F12I4O4 come from?
How It Compares
As a unique inorganic compound, F12I4O4 stands as a distinct entity within its chemical space, representing a stable arrangement of fluorine, iodine, and oxygen that serves as a benchmark for structural studies in this specific elemental combination.
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).
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