GeSe
Germanium monoselenide · Germanium selenide
Germanium monoselenide is a stable semiconducting material composed of germanium and selenium that is widely studied for its diverse structural phases.
About Germanium monoselenide
Germanium monoselenide is a binary chalcogenide that exists as a thermodynamically stable phase. Its semiconducting nature makes it a subject of significant interest for researchers investigating new materials for optoelectronic and photovoltaic applications.
The compound is characterized by a high degree of structural diversity, with numerous reported configurations across various databases. This structural richness highlights its versatility and potential for tuning electronic properties through phase engineering.
Key Properties
Cross-validated computational properties for Germanium monoselenide, 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 GeSe. 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 GeSe, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.90 | 0.0000 | -4.511 | 5.06 |
| Pnma (No. 62) | orthorhombic | 0.87 | 0.0000 | -0.260 | — |
| — | — | 0.23 | 0.0000 | -0.250 | — |
| Fm-3m (No. 225) | cubic | 0.17 | 0.0091 | -0.251 | — |
| — | — | 0.77 | 0.0204 | -0.230 | — |
| — | — | 0.90 | 0.0274 | -0.223 | — |
| — | — | 0.51 | 0.0358 | -0.215 | — |
| — | — | 0.26 | 0.0365 | -0.214 | — |
| — | — | 1.11 | 0.0431 | -0.207 | — |
| — | — | 0.69 | 0.0536 | -0.197 | — |
| Fm-3m (No. 225) | cubic | 0.02 | 0.0612 | -4.450 | 5.68 |
| — | — | 0.89 | 0.1305 | -0.120 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting GeSe.
Applications
Where Germanium monoselenide is used.
Frequently Asked Questions
Common questions about Germanium monoselenide, answered from cross-validated data.
What is GeSe?
Germanium monoselenide is a stable semiconducting material composed of germanium and selenium that is widely studied for its diverse structural phases.
What is GeSe used for?
What is the band gap of GeSe?
Is GeSe a metal, semiconductor, or insulator?
Is GeSe thermodynamically stable?
What is the crystal structure of GeSe?
What is the density of GeSe?
How many polymorphs of GeSe are known?
How is GeSe synthesized?
What elements does GeSe contain?
Where does the data for GeSe come from?
How It Compares
As a standalone binary chalcogenide, germanium monoselenide serves as a foundational model for understanding the behavior of group fourteen-sixteen semiconductors, providing a benchmark for stability and electronic performance in this material category.
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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