LuN
LuN is a stable, semiconducting rare-earth nitride material used in advanced solid-state research.
About LuN
Lutetium nitride is a thermodynamically stable compound that sits directly on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents a specialized niche within the broader family of rare-earth nitrides, offering unique electronic characteristics for material science research.
Its stability and well-documented structural profile make it an intriguing candidate for investigation in high-performance electronics. Researchers utilize this compound to better understand the interplay between heavy lanthanide elements and nitrogen in forming stable, functional solid-state architectures.
Key Properties
Cross-validated computational properties for LuN, aggregated across 5 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 LuN. 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 LuN, 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. |
|---|---|---|---|---|---|
| — | — | 0.50 | 0.0000 | -1.984 | — |
| Fm-3m (No. 225) | cubic | 0.35 | 0.0000 | -2.114 | — |
| Fm-3m (No. 225) | cubic | 0.23 | 0.0000 | -25.820 | 11.91 |
| — | — | 0.47 | 0.0002 | -1.983 | — |
| — | — | 1.07 | 0.1092 | -1.874 | — |
| — | — | 2.22 | 0.2806 | -1.703 | — |
| — | — | 0.35 | 0.5068 | -1.477 | — |
| — | — | 0.00 | 0.7269 | -1.257 | — |
| — | — | 0.00 | 1.0147 | -0.969 | — |
| — | — | 0.00 | 1.2295 | -0.754 | — |
| Cm (No. 8) | monoclinic | — | — | — | 9.85 |
| P-1 (No. 2) | triclinic | — | — | — | 7.13 |
Applications
Where LuN is used.
Frequently Asked Questions
Common questions about LuN, answered from cross-validated data.
What is LuN?
LuN is a stable, semiconducting rare-earth nitride material used in advanced solid-state research.
What is LuN used for?
What is the band gap of LuN?
Is LuN a metal, semiconductor, or insulator?
Is LuN thermodynamically stable?
What is the crystal structure of LuN?
How many polymorphs of LuN are known?
What elements does LuN contain?
Where does the data for LuN come from?
How It Compares
As a rare-earth nitride, LuN occupies a distinct position due to the unique electronic configuration of the lutetium cation. While many nitrides in this class are explored for their magnetic or optical properties, LuN is particularly notable for its thermodynamic stability, serving as a reliable benchmark for studying the structural evolution of lanthanide-based semiconductors.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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