AlKSi2
This compound is an inorganic material composed of aluminum, potassium, and silicon. It belongs to a class of ternary intermetallic phases often studied for their structural properties and potential roles in materials science research.
Key Properties
Cross-validated computational properties for AlKSi2, 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 AlKSi2, 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. |
|---|---|---|---|---|---|
| I41/acd (No. 142) | tetragonal | 0.02 | 0.0706 | -7.572 | 2.30 |
| — | — | — | — | — | 2.56 |
| — | — | — | — | — | — |
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Applications
Where AlKSi2 is used.
Frequently Asked Questions
Common questions about AlKSi2, answered from cross-validated data.
What is AlKSi2?
This compound is an inorganic material composed of aluminum, potassium, and silicon. It belongs to a class of ternary intermetallic phases often studied for their structural properties and potential roles in materials science research.
What is AlKSi2 used for?
What is the band gap of AlKSi2?
Is AlKSi2 a metal, semiconductor, or insulator?
Is AlKSi2 thermodynamically stable?
What is the crystal structure of AlKSi2?
What is the density of AlKSi2?
How many polymorphs of AlKSi2 are known?
What elements does AlKSi2 contain?
Where does the data for AlKSi2 come from?
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).
- alexandria — Data from alexandria.
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