GeSe2
germanium diselenide · germanium(IV) selenide
Germanium diselenide is a stable, semiconducting inorganic compound widely studied for its diverse structural phases and potential in electronic applications.
About germanium diselenide
Germanium diselenide is a thermodynamically stable chalcogenide that functions as a semiconductor. Its ability to form various structural arrangements makes it a subject of significant interest for researchers exploring complex phase behavior in binary systems. The material is characterized by its robust stability, positioning it as a reliable candidate for fundamental studies in solid-state physics and materials science. Because of its electronic properties, it is frequently investigated for its potential integration into next-generation electronic and optoelectronic components. The extensive documentation of its structural diversity underscores its importance as a model system for understanding chalcogenide bonding and coordination chemistry.
Key Properties
Cross-validated computational properties for germanium diselenide, aggregated across 6 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 GeSe2. 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 GeSe2, 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. |
|---|---|---|---|---|---|
| — | — | 1.47 | 0.0000 | -0.265 | — |
| P21/c (No. 14) | monoclinic | 1.44 | 0.0000 | -4.451 | 4.12 |
| I-42d (No. 122) | tetragonal | 1.24 | 0.0000 | -0.227 | — |
| — | — | 1.69 | 0.0059 | -0.259 | — |
| Fdd2 (No. 43) | orthorhombic | 1.49 | 0.0068 | -4.444 | 3.91 |
| — | — | 1.69 | 0.0076 | -0.257 | — |
| — | — | 1.69 | 0.0084 | -0.256 | — |
| I-42d (No. 122) | tetragonal | 1.64 | 0.0125 | -4.438 | 4.54 |
| — | — | 1.32 | 0.0179 | -0.247 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0944 | -0.133 | — |
| — | — | 0.00 | 0.1359 | -0.129 | — |
| — | — | 0.00 | 0.1374 | -0.127 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting GeSe2.
Applications
Where germanium diselenide is used.
Frequently Asked Questions
Common questions about germanium diselenide, answered from cross-validated data.
What is GeSe2?
Germanium diselenide is a stable, semiconducting inorganic compound widely studied for its diverse structural phases and potential in electronic applications.
What is GeSe2 used for?
What is the band gap of GeSe2?
Is GeSe2 a metal, semiconductor, or insulator?
Is GeSe2 thermodynamically stable?
How many polymorphs of GeSe2 are known?
How is GeSe2 synthesized?
What elements does GeSe2 contain?
Where does the data for GeSe2 come from?
How It Compares
As a highly studied binary chalcogenide, germanium diselenide serves as a foundational reference point for understanding the structural and electronic evolution of group fourteen selenides. Its position on the convex hull ensures it remains a benchmark for stability, providing a clear baseline for researchers developing new semiconducting materials with tailored optical and electrical responses.
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)
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