Al4Bi4Cl24
Al4Bi4Cl24 is a thermodynamically stable, insulating chloride compound composed of aluminum and bismuth.
About Al4Bi4Cl24
Al4Bi4Cl24 is a complex inorganic chloride that exhibits wide-band-gap insulating behavior. Its electronic structure is characterized by a significant energy separation between the valence and conduction bands, which is typical for stable, non-conductive halide frameworks.
As a thermodynamically stable phase residing on the convex hull, this material represents a robust structural arrangement of aluminum, bismuth, and chlorine atoms. Its stability suggests potential utility in specialized chemical synthesis or as a precursor in materials science research where structural integrity is paramount.
Key Properties
Cross-validated computational properties for Al4Bi4Cl24, 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 Al4Bi4Cl24, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.76 | 0.0000 | -4.055 | 3.01 |
| — | — | — | — | — | 2.54 |
| — | — | — | — | — | 2.36 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Al4Bi4Cl24 is used.
Frequently Asked Questions
Common questions about Al4Bi4Cl24, answered from cross-validated data.
What is Al4Bi4Cl24?
Al4Bi4Cl24 is a thermodynamically stable, insulating chloride compound composed of aluminum and bismuth.
What is Al4Bi4Cl24 used for?
What is the band gap of Al4Bi4Cl24?
Is Al4Bi4Cl24 a metal, semiconductor, or insulator?
Is Al4Bi4Cl24 thermodynamically stable?
What is the crystal structure of Al4Bi4Cl24?
What is the density of Al4Bi4Cl24?
How many polymorphs of Al4Bi4Cl24 are known?
What elements does Al4Bi4Cl24 contain?
Where does the data for Al4Bi4Cl24 come from?
How It Compares
As a unique inorganic halide, Al4Bi4Cl24 occupies a distinct niche in solid-state chemistry. While it lacks direct structural siblings in this specific classification, it serves as an important example of how complex metal-chloride frameworks can achieve thermodynamic stability, setting a benchmark for future investigations into multi-element halide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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