GeS2
germanium disulfide · germanium(IV) sulfide
Germanium disulfide is a stable, semiconducting inorganic compound composed of germanium and sulfur atoms.
About germanium disulfide
Germanium disulfide is a robust semiconducting material that exists as a stable phase on the convex hull. Its structural versatility is highlighted by a high number of reported configurations across major materials databases, reflecting its complex bonding nature and adaptability in the solid state.
As a key member of the germanium-sulfur system, this compound is of significant interest for its electronic properties. Its stability and semiconducting character make it a compelling candidate for research into next-generation thin-film technologies and specialized optical components.
Key Properties
Cross-validated computational properties for germanium disulfide, 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 GeS2. 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 GeS2, 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. |
|---|---|---|---|---|---|
| — | — | 2.30 | 0.0000 | -0.519 | — |
| P21/c (No. 14) | monoclinic | 2.26 | 0.0000 | -4.963 | 2.77 |
| I-42d (No. 122) | tetragonal | 2.22 | 0.0000 | -0.359 | — |
| Pc (No. 7) | monoclinic | 2.84 | 0.0001 | -10.371 | 2.85 |
| Fdd2 (No. 43) | orthorhombic | 2.25 | 0.0034 | -4.959 | 2.84 |
| — | — | 2.42 | 0.0043 | -0.515 | — |
| — | — | 2.42 | 0.0043 | -0.515 | — |
| Pc (No. 7) | monoclinic | 2.23 | 0.0076 | -4.955 | 2.80 |
| — | — | 0.00 | 0.0144 | -0.505 | — |
| I41/acd (No. 142) | tetragonal | 2.14 | 0.0155 | -4.947 | 2.98 |
| — | — | 2.61 | 0.0155 | -0.504 | — |
| — | — | 2.10 | 0.0158 | -0.504 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting GeS2.
Applications
Where germanium disulfide is used.
Frequently Asked Questions
Common questions about germanium disulfide, answered from cross-validated data.
What is GeS2?
Germanium disulfide is a stable, semiconducting inorganic compound composed of germanium and sulfur atoms.
What is GeS2 used for?
What is the band gap of GeS2?
Is GeS2 a metal, semiconductor, or insulator?
Is GeS2 thermodynamically stable?
What is the crystal structure of GeS2?
How many polymorphs of GeS2 are known?
How is GeS2 synthesized?
What elements does GeS2 contain?
Where does the data for GeS2 come from?
How It Compares
As a standalone representative of the germanium-sulfur binary system, germanium disulfide serves as a fundamental benchmark for understanding the structural and electronic behavior of semiconducting 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)
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