CSO
CSO is an insulating, metastable inorganic compound composed of carbon, sulfur, and oxygen that is primarily studied for its structural diversity.
About CSO
CSO is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its composition, involving carbon, sulfur, and oxygen, places it in a unique category of materials that are currently being explored for their specific structural arrangements.
Due to its position above the thermodynamic hull, this material is considered inherently unstable under standard conditions. Despite this, the compound has garnered interest in computational materials science, with multiple structural configurations documented across various databases.
Key Properties
Cross-validated computational properties for CSO, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CSO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CSO, 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. |
|---|---|---|---|---|---|
| — | — | 4.76 | 0.0988 | -0.745 | — |
| R3m (No. 160) | trigonal | 4.91 | 0.1054 | -7.029 | 1.31 |
| Cm (No. 8) | monoclinic | 4.90 | 0.1069 | -7.028 | 1.28 |
| — | — | 4.24 | 0.1249 | -0.719 | — |
| R3m (No. 160) | trigonal | 4.64 | 0.1334 | -0.532 | — |
| R3m (No. 160) | trigonal | 4.64 | 0.1335 | -0.532 | — |
| R3m (No. 160) | trigonal | 4.62 | 0.1340 | -0.531 | — |
| Pm (No. 6) | monoclinic | 0.00 | 4.0481 | 3.383 | — |
| P2 (No. 3) | monoclinic | — | — | — | 2.93 |
| P2 (No. 3) | monoclinic | — | — | — | 2.85 |
| P2/c (No. 13) | monoclinic | — | — | — | 3.68 |
Frequently Asked Questions
Common questions about CSO, answered from cross-validated data.
What is CSO?
CSO is an insulating, metastable inorganic compound composed of carbon, sulfur, and oxygen that is primarily studied for its structural diversity.
What is the band gap of CSO?
Is CSO a metal, semiconductor, or insulator?
Is CSO thermodynamically stable?
What is the crystal structure of CSO?
What is the density of CSO?
How many polymorphs of CSO are known?
What elements does CSO contain?
Where does the data for CSO come from?
How It Compares
As a standalone entry in this structural investigation, CSO serves as a reference point for understanding the stability limits of carbon-sulfur-oxygen systems. Its insulating nature distinguishes it from more conductive or metallic counterparts, providing a baseline for future studies into metastable phases.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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