Al2Br14Se2
Al2Br14Se2 is a semiconducting aluminum-based compound containing bromine and selenium that is considered a candidate for experimental synthesis.
About Al2Br14Se2
Al2Br14Se2 is a complex inorganic compound composed of aluminum, bromine, and selenium. As a semiconducting material, it occupies a specialized niche where its electronic properties are dictated by the interplay between the electronegative halogen and the chalcogen components.
This material is categorized as near-hull, indicating that it is thermodynamically close to the ground state and likely synthesizable under controlled laboratory conditions. Its existence in multiple structural databases highlights its importance as a subject of ongoing theoretical and experimental investigation.
Key Properties
Cross-validated computational properties for Al2Br14Se2, 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 Al2Br14Se2, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 2.19 | 0.0173 | -3.108 | 3.42 |
| — | — | — | — | — | 3.24 |
| Pc (No. 7) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Al2Br14Se2, answered from cross-validated data.
What is Al2Br14Se2?
Al2Br14Se2 is a semiconducting aluminum-based compound containing bromine and selenium that is considered a candidate for experimental synthesis.
What is the band gap of Al2Br14Se2?
Is Al2Br14Se2 a metal, semiconductor, or insulator?
Is Al2Br14Se2 thermodynamically stable?
What is the crystal structure of Al2Br14Se2?
What is the density of Al2Br14Se2?
How many polymorphs of Al2Br14Se2 are known?
What elements does Al2Br14Se2 contain?
Where does the data for Al2Br14Se2 come from?
How It Compares
As an unclassified complex halide-chalcogenide, this compound represents a unique structural arrangement within the broader landscape of aluminum-based materials. While it currently stands as a distinct entry without direct structural siblings in this dataset, its semiconducting nature and stability profile position it as a noteworthy subject for researchers exploring non-traditional ternary 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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