PrN2
Praseodymium dinitride is a binary inorganic compound composed of praseodymium and nitrogen. It is primarily studied in the context of rare-earth metal nitrides for its electronic and magnetic properties in solid-state research.
NPr
Overview
Key Properties
Cross-validated computational properties for PrN2, aggregated across 2 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.
0.10 eV
Range across DFT structures
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.
0.200 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
2 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for PrN2, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.10 | 0.2004 | -16.717 | 4.85 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.83 |
| P1 (No. 1) | Triclinic | — | — | — | 3.82 |
| P1 (No. 1) | Triclinic | — | — | — | 5.49 |
| P1 (No. 1) | Triclinic | — | — | — | 4.56 |
| P1 (No. 1) | Triclinic | — | — | — | 5.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.43 |
| P1 (No. 1) | Triclinic | — | — | — | 5.48 |
| P1 (No. 1) | Triclinic | — | — | — | 7.05 |
Uses
Applications
Where PrN2 is used.
Materials science researchSolid-state physics studiesRare-earth nitride development
Reference
Frequently Asked Questions
Common questions about PrN2, answered from cross-validated data.
What is PrN2?
Praseodymium dinitride is a binary inorganic compound composed of praseodymium and nitrogen. It is primarily studied in the context of rare-earth metal nitrides for its electronic and magnetic properties in solid-state research.
More questions
What is PrN2 used for?
PrN2 is used in materials science research, solid-state physics studies, and rare-earth nitride development.
What is the band gap of PrN2?
PrN2 has a DFT-computed band gap of 0.10 eV across 16 reported structures.
Is PrN2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is PrN2 thermodynamically stable?
PrN2 has a lowest energy above hull of 0.200 eV/atom (above hull).
What is the crystal structure of PrN2?
The lowest-energy reported polymorph of PrN2 is monoclinic symmetry, space group Cm (No. 8).
What is the density of PrN2?
The computed density of the ground-state structure of PrN2 is 4.85 g/cm³.
How many polymorphs of PrN2 are known?
16 structures of PrN2 are reported across 2 databases, spanning 4 distinct space groups.
What elements does PrN2 contain?
PrN2 contains N and Pr (2 elements).
Where does the data for PrN2 come from?
PrN2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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