H2S
Hydrogen sulfide · Sulfuretted hydrogen, Hydrosulfuric acid, Dihydrogen monosulfide
Hydrogen sulfide is a stable, wide-gap insulating gas known for its characteristic odor and its importance as a precursor in chemical manufacturing.
About Hydrogen sulfide
Hydrogen sulfide is a colorless, volatile chalcogen hydride that exists as a thermodynamically stable compound. Its electronic character as a wide-gap insulator distinguishes it from more metallic or semi-metallic sulfur-based systems, making it a subject of significant interest in high-pressure physics and chemical research.
With a vast array of reported structures across multiple databases, this compound serves as a fundamental building block in sulfur chemistry. It is widely recognized for its distinct odor and its critical role as a precursor in the production of elemental sulfur and various organosulfur compounds.
Key Properties
Cross-validated computational properties for Hydrogen sulfide, 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.
Reported Structures
Lowest-energy structures reported for H2S, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 4.32 | 0.0000 | -5.152 | 1.25 |
| Ibca (No. 73) | orthorhombic | 4.43 | 0.0047 | -5.148 | 1.24 |
| P1 (No. 1) | triclinic | 4.09 | 0.0081 | -5.144 | 1.23 |
| P42 (No. 77) | tetragonal | 4.26 | 0.0135 | -5.139 | 1.17 |
| I41/acd (No. 142) | tetragonal | 3.52 | 0.0460 | -5.106 | 0.91 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.9748 | -4.177 | 2.34 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.69 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.78 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.61 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.42 |
Applications
Where Hydrogen sulfide is used.
Frequently Asked Questions
Common questions about Hydrogen sulfide, answered from cross-validated data.
What is H2S?
Hydrogen sulfide is a stable, wide-gap insulating gas known for its characteristic odor and its importance as a precursor in chemical manufacturing.
What is H2S used for?
What is the band gap of H2S?
Is H2S a metal, semiconductor, or insulator?
Is H2S thermodynamically stable?
What is the crystal structure of H2S?
What is the density of H2S?
How many polymorphs of H2S are known?
What elements does H2S contain?
Where does the data for H2S come from?
How It Compares
As a foundational chalcogen hydride, hydrogen sulfide occupies a unique position in chemical databases due to its extensive structural data and established stability. Unlike more complex or unstable sulfur-based compounds, it remains a primary reference point for understanding hydrogen-sulfur bonding and molecular behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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