H3S
H3S is a hydrogen-sulfur compound that exists as a wide-band-gap insulator and is considered a viable target for experimental synthesis.
About H3S
H3S is a hydrogen-sulfide-based compound that functions as a wide-band-gap insulator. Its electronic structure suggests a highly insulating nature, making it a subject of interest for fundamental studies in high-pressure physics and condensed matter science.
Due to its position near the thermodynamic hull, this compound is considered a likely candidate for synthesis under specific experimental conditions. Its structural diversity, evidenced by numerous reported configurations, highlights its significance as a complex system within hydrogen-sulfur chemistry.
Key Properties
Cross-validated computational properties for H3S, aggregated across 4 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.
Applications
Where H3S is used.
Frequently Asked Questions
Common questions about H3S, answered from cross-validated data.
What is H3S?
H3S is a hydrogen-sulfur compound that exists as a wide-band-gap insulator and is considered a viable target for experimental synthesis.
What is H3S used for?
What is the band gap of H3S?
Is H3S a metal, semiconductor, or insulator?
Is H3S thermodynamically stable?
How many polymorphs of H3S are known?
What elements does H3S contain?
Where does the data for H3S come from?
How It Compares
As a member of the hydrogen-sulfide chemical space, H3S represents a distinct structural phase that bridges the gap between simple molecular hydrides and more complex, dense-packed solid-state architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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