CS14
CS14 is a metastable semiconducting compound composed of carbon and sulfur that serves as a subject of interest in materials science research.
About CS14
CS14 is a carbon-sulfur compound that exhibits semiconducting electronic behavior. As a metastable material, it represents a unique phase in the carbon-sulfur system, offering intriguing structural possibilities for researchers investigating non-equilibrium chemical states. Its existence across multiple databases highlights its significance as an object of study in theoretical and experimental materials science. The compound is primarily utilized in fundamental research to better understand the bonding dynamics and stability limits of carbon-rich sulfur systems. By exploring its structural diversity, scientists aim to map the complex landscape of metastable phases that could potentially be stabilized under specific synthesis conditions.
Key Properties
Cross-validated computational properties for CS14, aggregated across 5 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 CS14. 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 CS14, 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. |
|---|---|---|---|---|---|
| — | — | 2.56 | 0.0000 | -0.206 | — |
| R-3m (No. 166) | trigonal | 2.56 | 0.0561 | -8.105 | 1.87 |
| R-3m (No. 166) | trigonal | 2.28 | 0.0695 | 0.053 | — |
| R-3m (No. 166) | trigonal | — | — | — | 2.02 |
| R-3m (No. 166) | trigonal | — | — | — | 1.58 |
| R-3m (No. 166) | trigonal | — | — | — | 1.54 |
| R-3m (No. 166) | trigonal | — | — | — | 1.52 |
Applications
Where CS14 is used.
Frequently Asked Questions
Common questions about CS14, answered from cross-validated data.
What is CS14?
CS14 is a metastable semiconducting compound composed of carbon and sulfur that serves as a subject of interest in materials science research.
What is CS14 used for?
What is the band gap of CS14?
Is CS14 a metal, semiconductor, or insulator?
Is CS14 thermodynamically stable?
What is the crystal structure of CS14?
What is the density of CS14?
How many polymorphs of CS14 are known?
What elements does CS14 contain?
Where does the data for CS14 come from?
How It Compares
As a metastable semiconducting phase, CS14 occupies a specialized niche in the study of carbon-sulfur systems. It serves as a critical data point for understanding how carbon and sulfur atoms arrange themselves in configurations that deviate from more common, thermodynamically stable compositions.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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