AcBr3

Actinium tribromide · Actinium(III) bromide

Actinium tribromide is a radioactive inorganic compound formed by the reaction of actinium with bromine. It is primarily utilized in specialized scientific research to study the chemical properties of the actinide series.

AcBr
Crystal structure of AcBr3 (hexagonal, P63/m (No. 176))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Actinium tribromide, aggregated across 4 databases.

Band Gap

4.10 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

6
4 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AcBr3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/m (No. 176)hexagonal4.100.0000-4.7535.68
C2/m (No. 12)Monoclinic6.23
P63/m (No. 176)
R-3m (No. 166)Trigonal4.01
R-3m (No. 166)Trigonal4.89
Uses

Applications

Where Actinium tribromide is used.

Radiochemical researchFundamental actinide chemistry studies
Reference

Frequently Asked Questions

Common questions about Actinium tribromide, answered from cross-validated data.

What is AcBr3?

Actinium tribromide is a radioactive inorganic compound formed by the reaction of actinium with bromine. It is primarily utilized in specialized scientific research to study the chemical properties of the actinide series.

More questions
What is AcBr3 used for?
Actinium tribromide (AcBr3) is used in radiochemical research and fundamental actinide chemistry studies.
What is the band gap of AcBr3?
Actinium tribromide (AcBr3) has a DFT-computed band gap of 4.10 eV across 6 reported structures.
Is AcBr3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.10 eV it is an insulator / wide-band-gap material.
Is AcBr3 thermodynamically stable?
Yes — Actinium tribromide (AcBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AcBr3?
The lowest-energy reported polymorph of Actinium tribromide (AcBr3) is hexagonal symmetry, space group P63/m (No. 176).
What is the density of AcBr3?
The computed density of the ground-state structure of Actinium tribromide (AcBr3) is 5.68 g/cm³.
How many polymorphs of AcBr3 are known?
6 structures of AcBr3 are reported across 4 databases, spanning 3 distinct space groups.
What elements does AcBr3 contain?
Actinium tribromide (AcBr3) contains Ac and Br (2 elements).
Where does the data for AcBr3 come from?
AcBr3 data is cross-referenced from materials_project, alexandria, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • alexandria — Data from alexandria.
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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