Pr
Praseodymium · Pr
Praseodymium is a reactive, silvery metallic element from the lanthanide series widely utilized in the production of high-strength alloys and specialized glass.
About Praseodymium
Praseodymium is a soft, silvery-white metallic element belonging to the lanthanide series. As a highly reactive metal, it is typically stored under oil or sealed in plastic to prevent oxidation, reflecting its inherent chemical nature as a lanthanide. Its electronic character is distinctly metallic, facilitating its role in various metallurgical and industrial applications. Being near-hull in stability, it is readily synthesizable and exists in numerous structural configurations, making it a well-documented material in solid-state chemistry. It is primarily valued for its ability to form robust alloys and its contribution to specialized glass and magnet technologies.
Key Properties
Cross-validated computational properties for Praseodymium, 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 Pr. 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 Pr, 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 | 0.006 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | 0.006 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.122 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -0.013 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | 0.085 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.006 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.006 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.006 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | 0.085 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.006 | — |
Applications
Where Praseodymium is used.
Frequently Asked Questions
Common questions about Praseodymium, answered from cross-validated data.
What is Pr?
Praseodymium is a reactive, silvery metallic element from the lanthanide series widely utilized in the production of high-strength alloys and specialized glass.
What is Pr used for?
What is the band gap of Pr?
Is Pr a metal, semiconductor, or insulator?
Is Pr thermodynamically stable?
What is the crystal structure of Pr?
How many polymorphs of Pr are known?
What elements does Pr contain?
Where does the data for Pr come from?
How It Compares
As a pure elemental metal, Praseodymium serves as a foundational building block for the broader class of rare-earth materials, providing the essential metallic character required for alloying with transition metals to enhance magnetic performance and structural integrity.
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)
- 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)
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