PrSb
PrSb is a thermodynamically stable metallic compound consisting of praseodymium and antimony.
About PrSb
PrSb is a metallic compound formed from praseodymium and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material is characterized by its metallic electronic nature, lacking a band gap. Its presence across multiple structural databases highlights its significance in fundamental condensed matter studies and its role as a stable binary system for exploring rare-earth pnictide properties.
Key Properties
Cross-validated computational properties for PrSb, aggregated across 6 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 PrSb. 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 PrSb, 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 | -28.983 | 6.48 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.236 | — |
| — | — | 0.00 | 0.0000 | -1.198 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.236 | — |
| — | — | 0.00 | 0.0000 | -1.197 | — |
| — | — | 0.00 | 0.0171 | -1.180 | — |
| — | — | 0.00 | 0.1020 | -1.096 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2470 | -28.736 | 7.34 |
| — | — | 0.00 | 0.2484 | -0.949 | — |
| — | — | 0.00 | 0.2489 | -0.949 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2651 | -0.971 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2651 | -0.971 | — |
Applications
Where PrSb is used.
Frequently Asked Questions
Common questions about PrSb, answered from cross-validated data.
What is PrSb?
PrSb is a thermodynamically stable metallic compound consisting of praseodymium and antimony.
What is PrSb used for?
What is the band gap of PrSb?
Is PrSb a metal, semiconductor, or insulator?
Is PrSb thermodynamically stable?
What is the crystal structure of PrSb?
What is the density of PrSb?
How many polymorphs of PrSb are known?
What elements does PrSb contain?
Where does the data for PrSb come from?
How It Compares
As a stable binary metallic compound, PrSb serves as a foundational example of rare-earth antimonide behavior, providing a clear reference point for understanding the structural and electronic trends within the broader family of lanthanide-based pnictides.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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