Cl3TlV
Cl3TlV is a semiconducting ternary chloride compound composed of thallium, vanadium, and chlorine.
About Cl3TlV
Cl3TlV is a complex ternary chloride incorporating thallium and vanadium within its crystal lattice. As a semiconducting material, it represents a unique intersection of heavy metal and transition metal chemistry, offering potential for specialized electronic applications.
Due to its near-hull thermodynamic stability, this compound is considered a viable candidate for experimental synthesis. Its existence across multiple structural databases underscores its significance as a target for researchers exploring novel inorganic halide frameworks.
Key Properties
Cross-validated computational properties for Cl3TlV, 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 Cl3TlV, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.27 | 0.0033 | -4.865 | 4.70 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.64 |
Applications
Where Cl3TlV is used.
Frequently Asked Questions
Common questions about Cl3TlV, answered from cross-validated data.
What is Cl3TlV?
Cl3TlV is a semiconducting ternary chloride compound composed of thallium, vanadium, and chlorine.
What is Cl3TlV used for?
What is the band gap of Cl3TlV?
Is Cl3TlV a metal, semiconductor, or insulator?
Is Cl3TlV thermodynamically stable?
What is the crystal structure of Cl3TlV?
What is the density of Cl3TlV?
How many polymorphs of Cl3TlV are known?
What elements does Cl3TlV contain?
Where does the data for Cl3TlV come from?
How It Compares
As a unique ternary halide, Cl3TlV occupies a distinct niche in materials science. Without direct structural siblings in this specific chemical family, it serves as a foundational example of how thallium and vanadium can be integrated into a stable, semiconducting chloride framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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