Ga2S3
Gallium sulfide · Gallium(III) sulfide
Gallium sulfide is a semiconductor material composed of gallium and sulfur. It is primarily utilized in the development of optoelectronic devices and as a precursor for the synthesis of other advanced materials.
GaS
Overview
Key Properties
Cross-validated computational properties for Gallium 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.
1.35–1.81 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
34
5 databases, 9 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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 | 1.81 | 0.0005 | -10.195 | 3.59 |
| Imm2 (No. 44) | orthorhombic | 1.35 | 0.0031 | -10.192 | 3.58 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.4848 | -9.710 | 3.15 |
| — | — | — | — | — | 2.95 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.82 |
| P1 (No. 1) | Triclinic | — | — | — | 4.48 |
| No. 0 | unknown | — | — | — | 0.92 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.48 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.64 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 3.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.30 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Ga2S3.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Gallium sulfide is used.
OptoelectronicsSemiconductor researchPhotodetectorsThin film deposition
Reference
Frequently Asked Questions
Common questions about Gallium sulfide, answered from cross-validated data.
What is Ga2S3?
Gallium sulfide is a semiconductor material composed of gallium and sulfur. It is primarily utilized in the development of optoelectronic devices and as a precursor for the synthesis of other advanced materials.
More questions
What is Ga2S3 used for?
Gallium sulfide (Ga2S3) is used in optoelectronics, semiconductor research, photodetectors, and thin film deposition.
What is the band gap of Ga2S3?
Gallium sulfide (Ga2S3) has a DFT-computed band gap of 1.35–1.81 eV across 34 reported structures.
Is Ga2S3 a metal, semiconductor, or insulator?
With a band gap up to 1.81 eV it is a semiconductor.
Is Ga2S3 thermodynamically stable?
Yes — Gallium sulfide (Ga2S3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga2S3?
The lowest-energy reported polymorph of Gallium sulfide (Ga2S3) is monoclinic symmetry, space group Cc (No. 9).
What is the density of Ga2S3?
The computed density of the ground-state structure of Gallium sulfide (Ga2S3) is 3.57 g/cm³.
How many polymorphs of Ga2S3 are known?
34 structures of Ga2S3 are reported across 5 databases, spanning 9 distinct space groups.
How is Ga2S3 synthesized?
Literature-reported routes for Ga2S3 include sol-gel.
What elements does Ga2S3 contain?
Gallium sulfide (Ga2S3) contains Ga and S (2 elements).
Where does the data for Ga2S3 come from?
Ga2S3 data is cross-referenced from materials_project, omat24, mpaloe, cod, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Ga2S3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →