PrN
PrN is a thermodynamically stable semiconducting compound formed from praseodymium and nitrogen.
About PrN
PrN is a binary nitride compound composed of praseodymium and nitrogen. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within the rare-earth nitride family. Its electronic character is defined as semiconducting, making it a subject of significant interest for fundamental research into rare-earth-based electronic materials.
The compound is characterized by extensive structural data, with numerous reported configurations across major databases. This structural diversity underscores its complexity and importance in materials science, providing a rich landscape for investigating the interplay between lanthanide magnetism and semiconducting behavior in nitrides.
Key Properties
Cross-validated computational properties for PrN, 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 PrN. 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 PrN, 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 | 0.00 | 0.0000 | -20.812 | 7.26 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.496 | — |
| — | — | 0.00 | 0.0005 | -1.393 | — |
| — | — | 0.00 | 0.0032 | -1.390 | — |
| — | — | 2.03 | 0.0344 | -1.359 | — |
| F-43m (No. 216) | cubic | 1.56 | 0.1189 | -20.693 | 5.97 |
| — | — | 1.83 | 0.1196 | -1.274 | — |
| F-43m (No. 216) | cubic | 1.76 | 0.1799 | -1.316 | — |
| P4/nmm (No. 129) | tetragonal | 1.06 | 0.2715 | -20.541 | 6.97 |
| — | — | 1.21 | 0.2783 | -1.115 | — |
| P4/nmm (No. 129) | tetragonal | 1.08 | 0.2986 | -1.197 | — |
| P-6m2 (No. 187) | hexagonal | 0.19 | 0.3456 | -1.150 | — |
Applications
Where PrN is used.
Frequently Asked Questions
Common questions about PrN, answered from cross-validated data.
What is PrN?
PrN is a thermodynamically stable semiconducting compound formed from praseodymium and nitrogen.
What is PrN used for?
What is the band gap of PrN?
Is PrN a metal, semiconductor, or insulator?
Is PrN thermodynamically stable?
What is the crystal structure of PrN?
What is the density of PrN?
How many polymorphs of PrN are known?
What elements does PrN contain?
Where does the data for PrN come from?
How It Compares
As a singular entry in this context, PrN serves as a key representative of rare-earth nitrides, demonstrating the stability and semiconducting nature typical of this class of materials while offering unique structural insights due to its diverse reported configurations.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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