KTl
Potassium thallide is an intermetallic compound composed of potassium and thallium. It is primarily studied in the context of solid-state chemistry and materials science research regarding alkali metal-thallium systems.
KTl
Overview
Key Properties
Cross-validated computational properties for KTl, aggregated across 5 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.
Metallic / not reported
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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
5 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KTl, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0026 | -1.852 | 5.04 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0502 | -1.805 | 5.15 |
| P1 (No. 1) | Triclinic | — | — | — | 2.11 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 5.08 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.99 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.59 |
| — | — | — | — | — | 5.21 |
| P1 (No. 1) | Triclinic | — | — | — | 2.31 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.77 |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where KTl is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about KTl, answered from cross-validated data.
What is KTl?
Potassium thallide is an intermetallic compound composed of potassium and thallium. It is primarily studied in the context of solid-state chemistry and materials science research regarding alkali metal-thallium systems.
More questions
What is KTl used for?
KTl is used in materials science research and solid-state chemistry studies.
What is the band gap of KTl?
KTl is computed to be metallic (no band gap) in the reported DFT structures.
Is KTl a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is KTl thermodynamically stable?
KTl has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of KTl?
The lowest-energy reported polymorph of KTl is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of KTl?
The computed density of the ground-state structure of KTl is 5.04 g/cm³.
How many polymorphs of KTl are known?
19 structures of KTl are reported across 5 databases, spanning 6 distinct space groups.
What elements does KTl contain?
KTl contains K and Tl (2 elements).
Where does the data for KTl come from?
KTl data is cross-referenced from materials_project, mpaloe, omat24, nomad, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze KTl in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →