SO3
Sulfur trioxide · Sulfuric anhydride
Sulfur trioxide is a highly reactive chemical compound that serves as a primary precursor in the industrial production of sulfuric acid. It is typically handled as a colorless liquid or solid and is known for its strong affinity for water, which leads to the formation of acidic mists.
Key Properties
Cross-validated computational properties for Sulfur trioxide, aggregated across 4 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 SO3, 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 | 5.16 | 0.0000 | -6.326 | 2.49 |
| Pna21 (No. 33) | orthorhombic | 5.18 | 0.0036 | -6.323 | 2.34 |
| No. 0 | unknown | — | — | — | 0.60 |
| No. 0 | unknown | — | — | — | 0.58 |
| No. 0 | unknown | — | — | — | 0.57 |
| P1 (No. 1) | Triclinic | — | — | — | 4.89 |
| P1 (No. 1) | Triclinic | — | — | — | 3.31 |
| P1 (No. 1) | Triclinic | — | — | — | 3.92 |
| P1 (No. 1) | Triclinic | — | — | — | 4.52 |
| P1 (No. 1) | Triclinic | — | — | — | 3.50 |
| P1 (No. 1) | Triclinic | — | — | — | 3.75 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.54 |
Applications
Where Sulfur trioxide is used.
Frequently Asked Questions
Common questions about Sulfur trioxide, answered from cross-validated data.
What is SO3?
Sulfur trioxide is a highly reactive chemical compound that serves as a primary precursor in the industrial production of sulfuric acid. It is typically handled as a colorless liquid or solid and is known for its strong affinity for water, which leads to the formation of acidic mists.
What is SO3 used for?
What is the band gap of SO3?
Is SO3 a metal, semiconductor, or insulator?
Is SO3 thermodynamically stable?
What is the crystal structure of SO3?
What is the density of SO3?
How many polymorphs of SO3 are known?
What elements does SO3 contain?
Where does the data for SO3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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