S
Sulfur · Sulphur
Sulfur is a stable, non-metallic element that functions as a wide-gap insulator and serves as a primary precursor in diverse chemical manufacturing processes.
About Sulfur
Sulfur is a ubiquitous non-metallic element that plays a critical role in both industrial chemistry and biological systems. As a wide-gap insulator, it exhibits distinct electronic characteristics that set it apart from metallic conductors, making it a subject of extensive structural research across numerous databases.
Its thermodynamic stability on the convex hull ensures its persistence in various natural and synthetic forms. This stability, combined with its complex allotropic nature, allows sulfur to be a versatile building block in the production of essential chemicals and materials.
Key Properties
Cross-validated computational properties for Sulfur, aggregated across 6 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 S. 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 S, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 2.58 | 0.0000 | -8.034 | 1.92 |
| — | — | 2.34 | 0.0000 | -0.000 | — |
| P21 (No. 4) | monoclinic | 2.19 | 0.0000 | -0.015 | — |
| P2/c (No. 13) | monoclinic | 2.08 | 0.0000 | -0.015 | — |
| Fddd (No. 70) | orthorhombic | 2.05 | 0.0000 | -0.017 | — |
| P21/c (No. 14) | monoclinic | 2.02 | 0.0000 | -0.016 | — |
| R-3 (No. 148) | trigonal | 1.96 | 0.0000 | 0.016 | — |
| R-3 (No. 148) | trigonal | 1.96 | 0.0000 | 0.016 | — |
| P3221 (No. 154) | trigonal | 1.96 | 0.0000 | 0.000 | — |
| P3221 (No. 154) | trigonal | 1.96 | 0.0000 | 0.000 | — |
| C2/c (No. 15) | monoclinic | 1.94 | 0.0000 | 0.006 | — |
| P4/mmm (No. 123) | tetragonal | 1.21 | 0.0000 | 0.718 | — |
Applications
Where Sulfur is used.
Frequently Asked Questions
Common questions about Sulfur, answered from cross-validated data.
What is S?
Sulfur is a stable, non-metallic element that functions as a wide-gap insulator and serves as a primary precursor in diverse chemical manufacturing processes.
What is S used for?
What is the band gap of S?
Is S a metal, semiconductor, or insulator?
Is S thermodynamically stable?
What is the crystal structure of S?
What is the density of S?
How many polymorphs of S are known?
What elements does S contain?
Where does the data for S come from?
How It Compares
As a fundamental elemental solid, sulfur serves as a baseline for understanding non-metallic behavior and structural complexity in chemistry, representing a highly stable and well-documented reference point for elemental materials.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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