PaBr4
Protactinium tetrabromide is a stable, semiconducting actinide halide used primarily in fundamental chemical research.
About PaBr4
Protactinium tetrabromide is a distinct actinide-based halide characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a well-defined phase within the broader landscape of heavy element chemistry.
Its significance lies in the fundamental study of protactinium bonding and coordination geometry. Given the relative scarcity of protactinium compounds in experimental databases, this material serves as a critical reference point for understanding the behavior of early actinides in halogenated environments.
Key Properties
Cross-validated computational properties for PaBr4, 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.
Reported Structures
Lowest-energy structures reported for PaBr4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.18 | 0.0000 | -5.076 | 5.71 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.60 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.69 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.66 |
Applications
Where PaBr4 is used.
Frequently Asked Questions
Common questions about PaBr4, answered from cross-validated data.
What is PaBr4?
Protactinium tetrabromide is a stable, semiconducting actinide halide used primarily in fundamental chemical research.
What is PaBr4 used for?
What is the band gap of PaBr4?
Is PaBr4 a metal, semiconductor, or insulator?
Is PaBr4 thermodynamically stable?
What is the crystal structure of PaBr4?
What is the density of PaBr4?
How many polymorphs of PaBr4 are known?
What elements does PaBr4 contain?
Where does the data for PaBr4 come from?
How It Compares
As a unique actinide halide, this compound serves as a vital benchmark for evaluating the chemical trends of protactinium. It functions as a foundational representative of its class, providing essential insights into the stability and electronic configuration of actinide-bromine systems where comparative data for related heavy element halides remains limited.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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