GaS
Gallium monosulfide · Gallium(II) sulfide
Gallium monosulfide is a stable semiconducting compound composed of gallium and sulfur that is widely documented in materials science research.
About Gallium monosulfide
Gallium monosulfide is a stable binary semiconductor that occupies a significant position in materials research. Its presence on the convex hull indicates high thermodynamic favorability, making it a robust candidate for experimental synthesis and structural analysis.
With extensive data available across multiple databases, this compound is a well-characterized subject of study. Its electronic properties make it a compelling focus for researchers investigating next-generation electronic and optoelectronic devices.
Key Properties
Cross-validated computational properties for Gallium monosulfide, 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 GaS. 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 GaS, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 2.00 | 0.0000 | -10.503 | 3.78 |
| — | — | 1.93 | 0.0000 | -0.795 | — |
| P63/mmc (No. 194) | hexagonal | 1.42 | 0.0000 | -0.707 | — |
| P63/mmc (No. 194) | hexagonal | 1.50 | 0.0004 | -0.706 | — |
| P63/mmc (No. 194) | hexagonal | 2.02 | 0.0009 | -10.502 | 3.79 |
| R-3m (No. 166) | trigonal | 1.35 | 0.0044 | -0.702 | — |
| R-3m (No. 166) | trigonal | 1.87 | 0.0049 | -10.498 | 3.76 |
| — | — | 1.80 | 0.0060 | -0.789 | — |
| — | — | 1.64 | 0.0079 | -0.787 | — |
| — | — | 1.71 | 0.0120 | -0.783 | — |
| — | — | 0.00 | 0.2761 | -0.519 | — |
| — | — | 0.00 | 0.2775 | -0.518 | — |
Applications
Where Gallium monosulfide is used.
Frequently Asked Questions
Common questions about Gallium monosulfide, answered from cross-validated data.
What is GaS?
Gallium monosulfide is a stable semiconducting compound composed of gallium and sulfur that is widely documented in materials science research.
What is GaS used for?
What is the band gap of GaS?
Is GaS a metal, semiconductor, or insulator?
Is GaS thermodynamically stable?
What is the crystal structure of GaS?
What is the density of GaS?
How many polymorphs of GaS are known?
What elements does GaS contain?
Where does the data for GaS come from?
How It Compares
As a standalone subject in this context, gallium monosulfide serves as a benchmark for layered chalcogenide materials, demonstrating high stability that distinguishes it from more volatile or metastable compounds in the broader semiconductor landscape.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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