SClO
This compound is a reactive chemical species containing sulfur, chlorine, and oxygen. It is primarily studied as a transient intermediate in atmospheric chemistry and specialized chemical synthesis processes.
ClOS
Overview
Key Properties
Cross-validated computational properties for SClO, 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.
3.79 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SClO, 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. |
|---|---|---|---|---|---|
| Fdd2 (No. 43) | orthorhombic | 3.79 | 0.0000 | -4.807 | 2.08 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.77 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Uses
Applications
Where SClO is used.
Atmospheric researchChemical synthesis studies
Reference
Frequently Asked Questions
Common questions about SClO, answered from cross-validated data.
What is SClO?
This compound is a reactive chemical species containing sulfur, chlorine, and oxygen. It is primarily studied as a transient intermediate in atmospheric chemistry and specialized chemical synthesis processes.
More questions
What is SClO used for?
SClO is used in atmospheric research and chemical synthesis studies.
What is the band gap of SClO?
SClO has a DFT-computed band gap of 3.79 eV across 7 reported structures.
Is SClO a metal, semiconductor, or insulator?
With a wide band gap up to 3.79 eV it is an insulator / wide-band-gap material.
Is SClO thermodynamically stable?
Yes — SClO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SClO?
The lowest-energy reported polymorph of SClO is orthorhombic symmetry, space group Fdd2 (No. 43).
What is the density of SClO?
The computed density of the ground-state structure of SClO is 2.08 g/cm³.
How many polymorphs of SClO are known?
7 structures of SClO are reported across 3 databases, spanning 7 distinct space groups.
What elements does SClO contain?
SClO contains Cl, O, and S (3 elements).
Where does the data for SClO come from?
SClO data is cross-referenced from materials_project, mpaloe, jarvis.
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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