Ga2S3
Gallium(III) sulfide · Digallium trisulfide
Gallium(III) sulfide is a stable semiconducting material composed of gallium and sulfur that is widely studied for its potential in optoelectronic applications.
About Gallium(III) sulfide
Gallium(III) sulfide is a thermodynamically stable binary compound that plays a significant role in semiconductor research. Its electronic character makes it a candidate for various light-sensitive and electronic applications where stable, non-metallic behavior is required.
With a high degree of structural diversity reported across multiple databases, this material is well-characterized for its versatility. It serves as a foundational building block in the development of advanced materials designed for modern electronic and optical devices.
Key Properties
Cross-validated computational properties for Gallium(III) 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ga2S3. 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 Ga2S3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.71 | 0.0000 | -10.195 | 3.57 |
| Cc (No. 9) | monoclinic | 1.68 | 0.0000 | -0.730 | — |
| — | — | — | 0.0000 | -0.834 | — |
| Cc (No. 9) | monoclinic | 1.82 | 0.0005 | -10.195 | 3.59 |
| Imm2 (No. 44) | orthorhombic | 1.44 | 0.0007 | -0.730 | — |
| Imm2 (No. 44) | orthorhombic | 1.35 | 0.0031 | -10.192 | 3.58 |
| — | — | 2.23 | 0.0251 | -0.809 | — |
| — | — | 2.27 | 0.0258 | -0.808 | — |
| — | — | 1.21 | 0.1019 | -0.732 | — |
| — | — | 0.61 | 0.1133 | -0.721 | — |
| — | — | 0.86 | 0.1669 | -0.667 | — |
| — | — | 0.58 | 0.1720 | -0.662 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ga2S3.
Applications
Where Gallium(III) sulfide is used.
Patent Landscape
2 patents reference Ga2S3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 9766529 | Optical parametric oscillator and second harmonic generator using monoclinic phase Ga2S3 crystal | — | — |
| 9513532 | Optical parametric oscillator and second harmonic generator using monoclinic phase Ga2S3 crystal | — | — |
Frequently Asked Questions
Common questions about Gallium(III) sulfide, answered from cross-validated data.
What is Ga2S3?
Gallium(III) sulfide is a stable semiconducting material composed of gallium and sulfur that is widely studied for its potential in optoelectronic applications.
What is Ga2S3 used for?
What is the band gap of Ga2S3?
Is Ga2S3 a metal, semiconductor, or insulator?
Is Ga2S3 thermodynamically stable?
What is the crystal structure of Ga2S3?
What is the density of Ga2S3?
How many polymorphs of Ga2S3 are known?
How is Ga2S3 synthesized?
What elements does Ga2S3 contain?
Where does the data for Ga2S3 come from?
How It Compares
As a stable binary semiconductor, Gallium(III) sulfide represents a key member of the gallium-chalcogenide family, providing a robust platform for investigating the electronic properties of group thirteen sulfides in various structural configurations.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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