PmBr3
Promethium tribromide is a radioactive inorganic compound composed of promethium and bromine. Due to the scarcity and intense radioactivity of promethium, it is primarily utilized in specialized scientific research settings.
BrPm
Overview
Key Properties
Cross-validated computational properties for PmBr3, 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.
2.88 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for PmBr3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 2.88 | 0.0000 | -4.678 | 3.81 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 6.62 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.07 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.34 |
| C2/m (No. 12) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.23 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.23 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.24 |
Uses
Applications
Where PmBr3 is used.
Radiochemical researchFundamental studies of lanthanide properties
Reference
Frequently Asked Questions
Common questions about PmBr3, answered from cross-validated data.
What is PmBr3?
Promethium tribromide is a radioactive inorganic compound composed of promethium and bromine. Due to the scarcity and intense radioactivity of promethium, it is primarily utilized in specialized scientific research settings.
More questions
What is PmBr3 used for?
PmBr3 is used in radiochemical research and fundamental studies of lanthanide properties.
What is the band gap of PmBr3?
PmBr3 has a DFT-computed band gap of 2.88 eV across 9 reported structures.
Is PmBr3 a metal, semiconductor, or insulator?
With a band gap up to 2.88 eV it is a semiconductor.
Is PmBr3 thermodynamically stable?
Yes — PmBr3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PmBr3?
The lowest-energy reported polymorph of PmBr3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of PmBr3?
The computed density of the ground-state structure of PmBr3 is 3.81 g/cm³.
How many polymorphs of PmBr3 are known?
9 structures of PmBr3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does PmBr3 contain?
PmBr3 contains Br and Pm (2 elements).
Where does the data for PmBr3 come from?
PmBr3 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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