ClO
Chlorine monoxide · chlorine(II) oxide
Chlorine monoxide is a highly reactive radical species that plays a critical role in atmospheric chemistry. It is primarily known for its involvement in the depletion of the ozone layer within the stratosphere.
ClO
Overview
Key Properties
Cross-validated computational properties for Chlorine monoxide, 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.
1.69 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.
0.216 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
104
3 databases, 25 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ClO, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 1.69 | 0.2163 | -3.447 | 0.37 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.5533 | -2.110 | 2.64 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.61 |
| P1 (No. 1) | Triclinic | — | — | — | 2.18 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.68 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.55 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.17 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.57 |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.40 |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.01 |
Uses
Applications
Where Chlorine monoxide is used.
atmospheric researchchemical kinetics studies
Reference
Frequently Asked Questions
Common questions about Chlorine monoxide, answered from cross-validated data.
What is ClO?
Chlorine monoxide is a highly reactive radical species that plays a critical role in atmospheric chemistry. It is primarily known for its involvement in the depletion of the ozone layer within the stratosphere.
More questions
What is ClO used for?
Chlorine monoxide (ClO) is used in atmospheric research and chemical kinetics studies.
What is the band gap of ClO?
Chlorine monoxide (ClO) has a DFT-computed band gap of 1.69 eV across 104 reported structures.
Is ClO a metal, semiconductor, or insulator?
With a band gap up to 1.69 eV it is a semiconductor.
Is ClO thermodynamically stable?
Chlorine monoxide (ClO) has a lowest energy above hull of 0.216 eV/atom (above hull).
What is the crystal structure of ClO?
The lowest-energy reported polymorph of Chlorine monoxide (ClO) is tetragonal symmetry, space group I41/amd (No. 141).
What is the density of ClO?
The computed density of the ground-state structure of Chlorine monoxide (ClO) is 0.37 g/cm³.
How many polymorphs of ClO are known?
104 structures of ClO are reported across 3 databases, spanning 25 distinct space groups.
What elements does ClO contain?
Chlorine monoxide (ClO) contains Cl and O (2 elements).
Where does the data for ClO come from?
ClO 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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