ScN
Scandium nitride · Scandium mononitride
Scandium nitride is a stable semiconducting compound composed of scandium and nitrogen that is primarily investigated for use in electronic and optoelectronic devices.
About Scandium nitride
Scandium nitride is a robust, thermodynamically stable binary compound that occupies a unique position in materials science due to its semiconducting nature. Its structural integrity and electronic characteristics make it an intriguing candidate for advanced semiconductor device architectures.
Researchers have extensively documented this material across multiple databases, highlighting its reliability and potential for integration into thin-film technologies. Its stability on the convex hull suggests it is a promising building block for next-generation optoelectronic and microelectronic components.
Key Properties
Cross-validated computational properties for Scandium nitride, 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 ScN. 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 ScN, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.02 | 0.0000 | -2.155 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -9.428 | 4.27 |
| — | — | 0.00 | 0.0005 | -2.021 | — |
| — | — | 0.00 | 0.0011 | -2.020 | — |
| — | — | 0.00 | 0.0011 | -2.020 | — |
| — | — | 0.00 | 0.0011 | -2.020 | — |
| — | — | 0.71 | 0.1021 | -1.919 | — |
| — | — | 0.00 | 0.2554 | -1.766 | — |
| F-43m (No. 216) | cubic | 2.41 | 0.3033 | -9.124 | 3.34 |
| — | — | 2.55 | 0.3040 | -1.717 | — |
| — | — | 0.00 | 0.3355 | -1.686 | — |
| — | — | 0.00 | 0.3356 | -1.685 | — |
Applications
Where Scandium nitride is used.
Frequently Asked Questions
Common questions about Scandium nitride, answered from cross-validated data.
What is ScN?
Scandium nitride is a stable semiconducting compound composed of scandium and nitrogen that is primarily investigated for use in electronic and optoelectronic devices.
What is ScN used for?
What is the band gap of ScN?
Is ScN a metal, semiconductor, or insulator?
Is ScN thermodynamically stable?
What is the crystal structure of ScN?
How many polymorphs of ScN are known?
What elements does ScN contain?
Where does the data for ScN come from?
How It Compares
As a standalone binary nitride, scandium nitride serves as a foundational material within the broader class of transition metal nitrides, often studied for its distinct electronic behavior compared to more metallic or insulating counterparts.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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