Se
Selenium · Grey Selenium, Metallic Selenium
Selenium is a stable, semiconducting element widely utilized for its light-sensitive properties in electronics and industrial manufacturing.
About Selenium
Selenium is a fundamental semiconducting element that plays a critical role in modern materials science. As a thermodynamically stable phase, it serves as a reliable building block for various optoelectronic and industrial applications, valued for its distinct ability to conduct electricity under specific conditions.
Its importance stems from its unique electronic character, which allows it to be utilized effectively in light-sensitive devices and chemical processes. With a vast array of reported structural configurations, it remains one of the most extensively studied elements in its class, providing a robust foundation for technological innovation.
Key Properties
Cross-validated computational properties for Selenium, 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 Se. 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 Se, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.65 | 0.0000 | -14.312 | 3.93 |
| R-3 (No. 148) | trigonal | 1.25 | 0.0000 | 0.044 | — |
| R-3 (No. 148) | trigonal | 1.25 | 0.0000 | 0.044 | — |
| P21/c (No. 14) | monoclinic | 1.24 | 0.0000 | 0.054 | — |
| P21/c (No. 14) | monoclinic | 1.12 | 0.0000 | 0.056 | — |
| P3121 (No. 152) | trigonal | 0.90 | 0.0000 | 0.000 | — |
| P3121 (No. 152) | trigonal | 0.90 | 0.0000 | 0.000 | — |
| P3121 (No. 152) | trigonal | 0.90 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.533 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | 0.134 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0000 | 0.534 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | 0.166 | — |
Applications
Where Selenium is used.
Frequently Asked Questions
Common questions about Selenium, answered from cross-validated data.
What is Se?
Selenium is a stable, semiconducting element widely utilized for its light-sensitive properties in electronics and industrial manufacturing.
What is Se used for?
What is the band gap of Se?
Is Se a metal, semiconductor, or insulator?
Is Se thermodynamically stable?
What is the crystal structure of Se?
How many polymorphs of Se are known?
What elements does Se contain?
Where does the data for Se come from?
How It Compares
As a standalone elemental semiconductor, Selenium occupies a central role in materials science, serving as a primary reference point for understanding chalcogen-based electronic behavior and structural polymorphism.
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)
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