Tl2Cl3
Tl2Cl3 is a stable, semiconducting inorganic compound composed of thallium and chlorine.
About Tl2Cl3
Tl2Cl3 is a semiconducting inorganic compound that exists in a thermodynamically stable state on the convex hull. Its electronic character suggests potential utility in specialized electronic or optoelectronic applications where specific charge transport properties are required.
With multiple reported structural configurations across various databases, this compound represents a well-documented material system. Its stability makes it a reliable candidate for fundamental research into thallium-based halide systems and their underlying physical behaviors.
Key Properties
Cross-validated computational properties for Tl2Cl3, 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 Tl2Cl3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.88 | 0.0000 | -3.328 | 5.44 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1411 | -3.187 | 5.21 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.21 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.37 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.45 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.46 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.45 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.43 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Tl2Cl3 is used.
Frequently Asked Questions
Common questions about Tl2Cl3, answered from cross-validated data.
What is Tl2Cl3?
Tl2Cl3 is a stable, semiconducting inorganic compound composed of thallium and chlorine.
What is Tl2Cl3 used for?
What is the band gap of Tl2Cl3?
Is Tl2Cl3 a metal, semiconductor, or insulator?
Is Tl2Cl3 thermodynamically stable?
What is the crystal structure of Tl2Cl3?
What is the density of Tl2Cl3?
How many polymorphs of Tl2Cl3 are known?
What elements does Tl2Cl3 contain?
Where does the data for Tl2Cl3 come from?
How It Compares
As a unique member of the thallium-chloride system, Tl2Cl3 occupies a distinct position due to its inherent thermodynamic stability. Unlike less stable phases that may require specific synthesis conditions, this compound remains a robust subject for investigation into the electronic properties of metal halides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Tl2Cl3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →