CSO

Carbon monosulfide oxide is a highly reactive and unstable chemical species often studied in the context of interstellar chemistry and laboratory spectroscopy. It serves as a transient intermediate in various chemical reactions involving carbon, sulfur, and oxygen.

COS
Crystal structure of CSO (trigonal, R3m (No. 160))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for CSO, aggregated across 3 databases.

Band Gap

4.50–4.91 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

9
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CSO, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R3m (No. 160)trigonal4.910.1054-7.0291.31
Cm (No. 8)monoclinic4.500.1069-7.0281.28
R3m (No. 160)
R3m (No. 160)
R3m (No. 160)
P2 (No. 3)Monoclinic2.85
Pm (No. 6)
P2/c (No. 13)Monoclinic3.68
P2 (No. 3)Monoclinic2.93
Uses

Applications

Where CSO is used.

Astrophysical researchFundamental chemical kinetics studiesSpectroscopic analysis
Reference

Frequently Asked Questions

Common questions about CSO, answered from cross-validated data.

What is CSO?

Carbon monosulfide oxide is a highly reactive and unstable chemical species often studied in the context of interstellar chemistry and laboratory spectroscopy. It serves as a transient intermediate in various chemical reactions involving carbon, sulfur, and oxygen.

More questions
What is CSO used for?
CSO is used in astrophysical research, fundamental chemical kinetics studies, and spectroscopic analysis.
What is the band gap of CSO?
CSO has a DFT-computed band gap of 4.50–4.91 eV across 9 reported structures.
Is CSO a metal, semiconductor, or insulator?
With a wide band gap up to 4.91 eV it is an insulator / wide-band-gap material.
Is CSO thermodynamically stable?
CSO has a lowest energy above hull of 0.105 eV/atom (above hull).
What is the crystal structure of CSO?
The lowest-energy reported polymorph of CSO is trigonal symmetry, space group R3m (No. 160).
What is the density of CSO?
The computed density of the ground-state structure of CSO is 1.31 g/cm³.
How many polymorphs of CSO are known?
9 structures of CSO are reported across 3 databases, spanning 5 distinct space groups.
What elements does CSO contain?
CSO contains C, O, and S (3 elements).
Where does the data for CSO come from?
CSO data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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