PuSb
PuSb is a metallic plutonium antimonide compound that is considered stable enough for experimental synthesis and structural characterization.
About PuSb
PuSb is a metallic intermetallic compound composed of plutonium and antimony. Its electronic character is defined by its metallic nature, lacking a band gap, which influences its behavior in complex actinide systems. The compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable phase for synthesis and experimental study. With significant structural data available across multiple databases, it serves as a point of interest for researchers investigating the interplay between heavy actinides and pnictogens. Its properties are fundamental to understanding the broader physics of plutonium-based materials.
Key Properties
Cross-validated computational properties for PuSb, aggregated across 4 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 PuSb. 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 PuSb, 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 | 0.0049 | -9.931 | 9.72 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0265 | -9.909 | 11.43 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0265 | -9.909 | 11.17 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0650 | -9.871 | 11.15 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.86 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.69 |
| P1 (No. 1) | Triclinic | — | — | — | 8.77 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 7.61 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.42 |
| P1 (No. 1) | Triclinic | — | — | — | 10.39 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.04 |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.04 |
Applications
Where PuSb is used.
Frequently Asked Questions
Common questions about PuSb, answered from cross-validated data.
What is PuSb?
PuSb is a metallic plutonium antimonide compound that is considered stable enough for experimental synthesis and structural characterization.
What is PuSb used for?
What is the band gap of PuSb?
Is PuSb a metal, semiconductor, or insulator?
Is PuSb thermodynamically stable?
What is the crystal structure of PuSb?
What is the density of PuSb?
How many polymorphs of PuSb are known?
What elements does PuSb contain?
Where does the data for PuSb come from?
How It Compares
As a distinct actinide pnictide, PuSb represents a specific structural arrangement within the broader family of plutonium-antimony binary systems. It occupies a notable position in the landscape of heavy metal compounds, where its stability and electronic configuration provide a reference point for analyzing the chemical bonding and lattice dynamics of similar radioactive intermetallics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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