Ga2Se3
gallium selenide
Gallium selenide is a stable semiconducting material primarily utilized in the development of optoelectronic devices and advanced sensor technologies.
About gallium selenide
Gallium selenide is a thermodynamically stable binary semiconductor that occupies a significant position in materials science due to its well-defined structural characteristics. It is highly regarded for its consistent phase stability, which makes it a reliable candidate for electronic and optical device development.
Because it sits firmly on the convex hull, this compound exhibits excellent structural integrity across a wide range of experimental conditions. Its semiconducting nature allows for versatile applications in photonics and sensor technology, where precise electronic control is required.
Key Properties
Cross-validated computational properties for gallium selenide, aggregated across 7 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 Ga2Se3. 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 Ga2Se3, 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. |
|---|---|---|---|---|---|
| — | — | 1.13 | 0.0000 | -0.589 | — |
| Cc (No. 9) | monoclinic | 1.04 | 0.0000 | -13.865 | 4.97 |
| Imm2 (No. 44) | orthorhombic | 0.45 | 0.0000 | -0.592 | — |
| Imm2 (No. 44) | orthorhombic | 0.51 | 0.0063 | -13.859 | 4.94 |
| Cc (No. 9) | monoclinic | 0.99 | 0.0098 | -0.583 | — |
| — | — | 1.07 | 0.0255 | -0.563 | — |
| — | — | 1.21 | 0.0591 | -0.530 | — |
| — | — | 1.08 | 0.0643 | -0.525 | — |
| — | — | 0.00 | 0.1596 | -0.429 | — |
| — | — | 0.00 | 0.1908 | -0.398 | — |
| — | — | 0.00 | 0.2056 | -0.383 | — |
| — | — | 0.00 | 0.3334 | -0.256 | — |
Applications
Where gallium selenide is used.
Frequently Asked Questions
Common questions about gallium selenide, answered from cross-validated data.
What is Ga2Se3?
Gallium selenide is a stable semiconducting material primarily utilized in the development of optoelectronic devices and advanced sensor technologies.
What is Ga2Se3 used for?
What is the band gap of Ga2Se3?
Is Ga2Se3 a metal, semiconductor, or insulator?
Is Ga2Se3 thermodynamically stable?
What is the crystal structure of Ga2Se3?
What is the density of Ga2Se3?
How many polymorphs of Ga2Se3 are known?
What elements does Ga2Se3 contain?
Where does the data for Ga2Se3 come from?
How It Compares
As a stable binary semiconductor, gallium selenide serves as a foundational material within its class, providing a benchmark for structural and electronic performance in gallium-based chalcogenides.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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