Al8K8Te16
This compound is a complex ternary chalcogenide consisting of aluminum, potassium, and tellurium. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
AlKTe
Overview
Key Properties
Cross-validated computational properties for Al8K8Te16, 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.
1.70–2.24 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al8K8Te16, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.24 | 0.0000 | -16.860 | 3.69 |
| I4/mcm (No. 140) | tetragonal | 1.70 | 0.0047 | -16.855 | 4.06 |
| — | — | — | — | — | 3.33 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where Al8K8Te16 is used.
Solid-state chemistry researchMaterials science exploration
Reference
Frequently Asked Questions
Common questions about Al8K8Te16, answered from cross-validated data.
What is Al8K8Te16?
This compound is a complex ternary chalcogenide consisting of aluminum, potassium, and tellurium. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
More questions
What is Al8K8Te16 used for?
Al8K8Te16 is used in solid-state chemistry research and materials science exploration.
What is the band gap of Al8K8Te16?
Al8K8Te16 has a DFT-computed band gap of 1.70–2.24 eV across 5 reported structures.
Is Al8K8Te16 a metal, semiconductor, or insulator?
With a band gap up to 2.24 eV it is a semiconductor.
Is Al8K8Te16 thermodynamically stable?
Yes — Al8K8Te16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al8K8Te16?
The lowest-energy reported polymorph of Al8K8Te16 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Al8K8Te16?
The computed density of the ground-state structure of Al8K8Te16 is 3.69 g/cm³.
How many polymorphs of Al8K8Te16 are known?
5 structures of Al8K8Te16 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al8K8Te16 contain?
Al8K8Te16 contains Al, K, and Te (3 elements).
Where does the data for Al8K8Te16 come from?
Al8K8Te16 data is cross-referenced from materials_project, omat24, aflow.
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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