Ac2Cl6
Ac2Cl6 is a stable, insulating binary compound composed of actinium and chlorine.
About Ac2Cl6
Ac2Cl6 is a binary actinium chloride compound characterized by its insulating electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a well-defined chemical state for actinium in a halide environment.
This material is of significant interest in fundamental actinide research, where its structural properties are studied across multiple configurations. Its stability makes it a reliable reference point for understanding the bonding and coordination behavior of heavy radioactive elements.
Key Properties
Cross-validated computational properties for Ac2Cl6, 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 Ac2Cl6, 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/m (No. 176) | hexagonal | 5.09 | 0.0000 | -24.562 | 4.72 |
| P63/m (No. 176) | — | 5.07 | — | — | — |
| P63/m (No. 176) | — | 4.82 | — | — | — |
| P63/m (No. 176) | — | 4.82 | — | — | — |
| P63/m (No. 176) | — | 4.81 | — | — | — |
| P63/m (No. 176) | — | — | — | — | — |
Applications
Where Ac2Cl6 is used.
Frequently Asked Questions
Common questions about Ac2Cl6, answered from cross-validated data.
What is Ac2Cl6?
Ac2Cl6 is a stable, insulating binary compound composed of actinium and chlorine.
What is Ac2Cl6 used for?
What is the band gap of Ac2Cl6?
Is Ac2Cl6 a metal, semiconductor, or insulator?
Is Ac2Cl6 thermodynamically stable?
What is the crystal structure of Ac2Cl6?
What is the density of Ac2Cl6?
How many polymorphs of Ac2Cl6 are known?
What elements does Ac2Cl6 contain?
Where does the data for Ac2Cl6 come from?
How It Compares
As a specialized actinide halide, Ac2Cl6 serves as a foundational example for studying the chemical behavior of actinium. In the absence of other direct structural siblings in this specific class, it stands as a primary reference for investigating the insulating characteristics and structural diversity of trivalent actinium-chlorine systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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