Al4K4Sb16
Al4K4Sb16 is a stable, semiconducting ternary compound containing aluminum, potassium, and antimony.
About Al4K4Sb16
Al4K4Sb16 is a complex ternary compound composed of aluminum, potassium, and antimony. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental materials characterization.
Exhibiting semiconducting electronic character, this material serves as a subject for exploring structure-property relationships in multi-element pnictide systems. Its existence across multiple structural databases highlights its importance as a stable, well-defined inorganic phase for researchers investigating novel electronic materials.
Key Properties
Cross-validated computational properties for Al4K4Sb16, 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 Al4K4Sb16, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.25 | 0.0000 | -19.574 | 4.53 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 4.46 |
Applications
Where Al4K4Sb16 is used.
Frequently Asked Questions
Common questions about Al4K4Sb16, answered from cross-validated data.
What is Al4K4Sb16?
Al4K4Sb16 is a stable, semiconducting ternary compound containing aluminum, potassium, and antimony.
What is Al4K4Sb16 used for?
What is the band gap of Al4K4Sb16?
Is Al4K4Sb16 a metal, semiconductor, or insulator?
Is Al4K4Sb16 thermodynamically stable?
What is the crystal structure of Al4K4Sb16?
What is the density of Al4K4Sb16?
How many polymorphs of Al4K4Sb16 are known?
What elements does Al4K4Sb16 contain?
Where does the data for Al4K4Sb16 come from?
How It Compares
As a unique ternary phase, Al4K4Sb16 occupies a distinct niche in the landscape of complex antimony-based compounds. While many similar systems are studied for their thermoelectric or electronic properties, this compound is notable for its thermodynamic stability, providing a reliable baseline for investigating the behavior of aluminum-potassium-antimony 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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