Al4K12Se12
Al4K12Se12 is a stable, semiconducting ternary chalcogenide composed of aluminum, potassium, and selenium.
About Al4K12Se12
Al4K12Se12 is a complex ternary chalcogenide composed of aluminum, potassium, and selenium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its semiconducting nature makes it an intriguing candidate for electronic and optoelectronic research, where specific charge transport properties are required.
The material is characterized by its distinct atomic configuration, which has been documented across multiple structural databases. Its stability suggests potential for synthesis and integration into specialized solid-state devices, offering a unique platform for studying the interplay between alkali metal cations and aluminum-selenide frameworks.
Key Properties
Cross-validated computational properties for Al4K12Se12, 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 Al4K12Se12, 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 | 2.73 | 0.0000 | -3.900 | 2.87 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.16 |
Applications
Where Al4K12Se12 is used.
Frequently Asked Questions
Common questions about Al4K12Se12, answered from cross-validated data.
What is Al4K12Se12?
Al4K12Se12 is a stable, semiconducting ternary chalcogenide composed of aluminum, potassium, and selenium.
What is Al4K12Se12 used for?
What is the band gap of Al4K12Se12?
Is Al4K12Se12 a metal, semiconductor, or insulator?
Is Al4K12Se12 thermodynamically stable?
What is the crystal structure of Al4K12Se12?
What is the density of Al4K12Se12?
How many polymorphs of Al4K12Se12 are known?
What elements does Al4K12Se12 contain?
Where does the data for Al4K12Se12 come from?
How It Compares
As a unique ternary compound, Al4K12Se12 serves as a foundational example of aluminum-based chalcogenides. Without direct structural siblings in this specific chemical family, it acts as a primary reference point for understanding how the inclusion of potassium influences the electronic behavior and thermodynamic stability of aluminum-selenium frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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