SeN
SeN is a semiconducting selenium-nitrogen compound known for its structural diversity in research despite being thermodynamically unstable.
About SeN
SeN is a binary compound consisting of selenium and nitrogen, characterized by its semiconducting electronic behavior. As a material that sits above the thermodynamic hull, it represents a metastable phase that is of significant interest for fundamental studies in chalcogen-nitrogen chemistry.
Despite its inherent instability, the compound is highly data-rich, appearing in numerous reported structures across scientific databases. Its existence provides valuable insights into the bonding interactions between selenium and nitrogen, contributing to our broader understanding of non-metal inorganic frameworks.
Key Properties
Cross-validated computational properties for SeN, 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 SeN. 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 SeN, 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. |
|---|---|---|---|---|---|
| — | — | 0.47 | 0.0197 | -0.012 | — |
| P21/c (No. 14) | monoclinic | 1.88 | 0.6340 | -11.086 | 3.51 |
| C2/c (No. 15) | monoclinic | 1.96 | 0.6348 | -11.085 | 3.53 |
| — | — | 1.75 | 0.7560 | 0.724 | — |
| — | — | 1.86 | 0.7573 | 0.726 | — |
| C2/c (No. 15) | monoclinic | 1.76 | 0.8337 | 0.826 | — |
| — | — | 0.00 | 1.5329 | 1.501 | — |
| — | — | 0.00 | 1.5338 | 1.502 | — |
| — | — | 0.00 | 1.5834 | 1.552 | — |
| — | — | 0.00 | 1.7219 | 1.690 | — |
| — | — | 0.00 | 2.0799 | 2.048 | — |
| — | — | 0.00 | 2.2795 | 2.248 | — |
Applications
Where SeN is used.
Frequently Asked Questions
Common questions about SeN, answered from cross-validated data.
What is SeN?
SeN is a semiconducting selenium-nitrogen compound known for its structural diversity in research despite being thermodynamically unstable.
What is SeN used for?
What is the band gap of SeN?
Is SeN a metal, semiconductor, or insulator?
Is SeN thermodynamically stable?
What is the crystal structure of SeN?
What is the density of SeN?
How many polymorphs of SeN are known?
What elements does SeN contain?
Where does the data for SeN come from?
How It Compares
As a unique binary system, SeN occupies a distinct position in materials science where its semiconducting nature and metastable state make it a subject of specialized structural investigation rather than a traditional bulk industrial material.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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