Cl2KTl
This compound is a crystalline inorganic salt composed of potassium, thallium, and chlorine. It is primarily studied in academic research settings for its structural properties and as a component in specialized solid-state chemistry investigations.
Key Properties
Cross-validated computational properties for Cl2KTl, 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 Cl2KTl, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 4.03 | 0.0023 | -3.584 | 4.04 |
| — | — | — | — | — | 4.54 |
| — | — | — | — | — | 4.54 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 3.97 |
Applications
Where Cl2KTl is used.
Frequently Asked Questions
Common questions about Cl2KTl, answered from cross-validated data.
What is Cl2KTl?
This compound is a crystalline inorganic salt composed of potassium, thallium, and chlorine. It is primarily studied in academic research settings for its structural properties and as a component in specialized solid-state chemistry investigations.
What is Cl2KTl used for?
What is the band gap of Cl2KTl?
Is Cl2KTl a metal, semiconductor, or insulator?
Is Cl2KTl thermodynamically stable?
What is the crystal structure of Cl2KTl?
What is the density of Cl2KTl?
How many polymorphs of Cl2KTl are known?
What elements does Cl2KTl contain?
Where does the data for Cl2KTl 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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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