SnSe
tin selenide · tin(II) selenide
Tin selenide is a stable semiconducting compound widely researched for its potential in high-efficiency thermoelectric energy conversion.
About tin selenide
Tin selenide is a binary chalcogenide that exists as a thermodynamically stable phase. Its semiconducting nature and unique crystal structure have made it a subject of intense research for its ability to convert waste heat into electricity with high efficiency. The material is highly regarded for its low thermal conductivity, which is a critical trait for high-performance thermoelectric applications. Researchers continue to explore its structural versatility, as evidenced by the numerous reported configurations found in materials databases. This extensive data richness underscores its importance in the development of advanced electronic and optoelectronic devices.
Key Properties
Cross-validated computational properties for tin selenide, 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 SnSe. 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 SnSe, 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. |
|---|---|---|---|---|---|
| — | — | 0.71 | 0.0000 | -0.483 | — |
| Pnma (No. 62) | orthorhombic | 0.64 | 0.0000 | -0.495 | — |
| Pnma (No. 62) | orthorhombic | 0.61 | 0.0000 | -19.982 | 5.80 |
| — | — | 0.34 | 0.0027 | -0.480 | — |
| — | — | 0.49 | 0.0036 | -0.479 | — |
| — | — | 0.23 | 0.0041 | -0.479 | — |
| — | — | 0.00 | 0.0083 | -0.474 | — |
| — | — | 0.51 | 0.0112 | -0.471 | — |
| Pnma (No. 62) | orthorhombic | 0.24 | 0.0117 | -19.971 | 5.95 |
| — | — | 1.20 | 0.0120 | -0.471 | — |
| Pnma (No. 62) | orthorhombic | 0.71 | 0.0131 | -0.482 | — |
| Fm-3m (No. 225) | cubic | 0.20 | 0.0149 | -0.481 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SnSe.
Applications
Where tin selenide is used.
Frequently Asked Questions
Common questions about tin selenide, answered from cross-validated data.
What is SnSe?
Tin selenide is a stable semiconducting compound widely researched for its potential in high-efficiency thermoelectric energy conversion.
What is SnSe used for?
What is the band gap of SnSe?
Is SnSe a metal, semiconductor, or insulator?
Is SnSe thermodynamically stable?
What is the crystal structure of SnSe?
How many polymorphs of SnSe are known?
How is SnSe synthesized?
What elements does SnSe contain?
Where does the data for SnSe come from?
How It Compares
As a prominent member of the metal chalcogenide family, tin selenide occupies a unique position due to its remarkable ability to maintain stability while exhibiting complex electronic and thermal behaviors that are highly sought after for solid-state energy conversion technologies.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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