SnSe2
tin diselenide · tin(IV) selenide
Tin diselenide is a stable semiconducting material composed of tin and selenium that is primarily utilized in advanced electronic and optoelectronic research.
About tin diselenide
Tin diselenide is a thermodynamically stable compound that crystallizes in a layered structure typical of transition metal dichalcogenides. Its semiconducting nature makes it a subject of significant interest for next-generation electronic devices and thin-film technologies.
Due to its high structural diversity and stability, this material is widely investigated for its potential in light-harvesting and sensing applications. It remains a foundational material for researchers exploring the physics of two-dimensional semiconductors.
Key Properties
Cross-validated computational properties for tin diselenide, aggregated across 3 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 SnSe2. 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 SnSe2, 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. |
|---|---|---|---|---|---|
| — | — | 0.76 | 0.0000 | -0.375 | — |
| P-3m1 (No. 164) | trigonal | 0.69 | 0.0000 | -18.214 | 5.54 |
| P-3m1 (No. 164) | trigonal | 0.34 | 0.0000 | -0.347 | — |
| — | — | 0.63 | 0.0003 | -0.375 | — |
| — | — | 0.52 | 0.0006 | -0.374 | — |
| — | — | 0.81 | 0.0024 | -0.372 | — |
| — | — | 0.52 | 0.0034 | -0.371 | — |
| P-3m1 (No. 164) | trigonal | 0.47 | 0.0132 | -0.334 | — |
| — | — | 1.33 | 0.0326 | -0.342 | — |
| — | — | 0.00 | 0.0332 | -0.342 | — |
| — | — | 0.00 | 0.1055 | -0.269 | — |
| — | — | 0.00 | 0.1101 | -0.265 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SnSe2.
Applications
Where tin diselenide is used.
Frequently Asked Questions
Common questions about tin diselenide, answered from cross-validated data.
What is SnSe2?
Tin diselenide is a stable semiconducting material composed of tin and selenium that is primarily utilized in advanced electronic and optoelectronic research.
What is SnSe2 used for?
What is the band gap of SnSe2?
Is SnSe2 a metal, semiconductor, or insulator?
Is SnSe2 thermodynamically stable?
What is the crystal structure of SnSe2?
What is the density of SnSe2?
How many polymorphs of SnSe2 are known?
How is SnSe2 synthesized?
What elements does SnSe2 contain?
Where does the data for SnSe2 come from?
How It Compares
As a prominent member of the metal dichalcogenide family, tin diselenide is valued for its robust stability and predictable electronic behavior, which distinguishes it from more volatile or less chemically stable members of the broader chalcogenide class.
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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