Al8Cl28Te8
This compound is a complex inorganic halide containing aluminum and tellurium. It is primarily studied in academic research settings to explore structural chemistry and the bonding properties of metal-halide clusters.
AlClTe
Overview
Key Properties
Cross-validated computational properties for Al8Cl28Te8, 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.
1.45 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.
0.003 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al8Cl28Te8, 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 | 1.45 | 0.0027 | -11.083 | 2.67 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1977 | -10.888 | 1.53 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.70 |
Uses
Applications
Where Al8Cl28Te8 is used.
Solid-state chemistry researchMaterials science explorationStructural analysis studies
Reference
Frequently Asked Questions
Common questions about Al8Cl28Te8, answered from cross-validated data.
What is Al8Cl28Te8?
This compound is a complex inorganic halide containing aluminum and tellurium. It is primarily studied in academic research settings to explore structural chemistry and the bonding properties of metal-halide clusters.
More questions
What is Al8Cl28Te8 used for?
Al8Cl28Te8 is used in solid-state chemistry research, materials science exploration, and structural analysis studies.
What is the band gap of Al8Cl28Te8?
Al8Cl28Te8 has a DFT-computed band gap of 1.45 eV across 4 reported structures.
Is Al8Cl28Te8 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is Al8Cl28Te8 thermodynamically stable?
Al8Cl28Te8 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of Al8Cl28Te8?
The lowest-energy reported polymorph of Al8Cl28Te8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Al8Cl28Te8?
The computed density of the ground-state structure of Al8Cl28Te8 is 2.67 g/cm³.
How many polymorphs of Al8Cl28Te8 are known?
4 structures of Al8Cl28Te8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Al8Cl28Te8 contain?
Al8Cl28Te8 contains Al, Cl, and Te (3 elements).
Where does the data for Al8Cl28Te8 come from?
Al8Cl28Te8 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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