SeOF2
Selenium oxyfluoride · Selenyl fluoride
Selenium oxyfluoride is a reactive inorganic compound that functions as a powerful solvent and fluorinating agent. It is primarily utilized in specialized chemical synthesis and research settings where its unique ability to dissolve various inorganic substances is required.
Key Properties
Cross-validated computational properties for Selenium oxyfluoride, 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 SeOF2, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 4.08 | 0.0000 | -4.841 | 3.49 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.46 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.27 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.81 |
| Pca21 (No. 29) | — | — | — | — | — |
Applications
Where Selenium oxyfluoride is used.
Frequently Asked Questions
Common questions about Selenium oxyfluoride, answered from cross-validated data.
What is SeOF2?
Selenium oxyfluoride is a reactive inorganic compound that functions as a powerful solvent and fluorinating agent. It is primarily utilized in specialized chemical synthesis and research settings where its unique ability to dissolve various inorganic substances is required.
What is SeOF2 used for?
What is the band gap of SeOF2?
Is SeOF2 a metal, semiconductor, or insulator?
Is SeOF2 thermodynamically stable?
What is the crystal structure of SeOF2?
What is the density of SeOF2?
How many polymorphs of SeOF2 are known?
What elements does SeOF2 contain?
Where does the data for SeOF2 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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