Cl3GeTl
This compound is a complex inorganic halide containing germanium and thallium. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of advanced organometallic materials.
ClGeTl
Overview
Key Properties
Cross-validated computational properties for Cl3GeTl, aggregated across 4 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.
1.38–3.32 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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cl3GeTl, 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/m (No. 11) | monoclinic | 3.32 | 0.0000 | -3.792 | 3.92 |
| P21/m (No. 11) | monoclinic | 2.89 | 0.0000 | -18.088 | 4.34 |
| Cm (No. 8) | monoclinic | 1.38 | 0.0328 | -3.759 | 4.21 |
| — | — | — | — | — | 3.79 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.79 |
| Cm (No. 8) | — | — | — | — | — |
Uses
Applications
Where Cl3GeTl is used.
Chemical researchPrecursor for organometallic synthesis
Reference
Frequently Asked Questions
Common questions about Cl3GeTl, answered from cross-validated data.
What is Cl3GeTl?
This compound is a complex inorganic halide containing germanium and thallium. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of advanced organometallic materials.
More questions
What is Cl3GeTl used for?
Cl3GeTl is used in chemical research and precursor for organometallic synthesis.
What is the band gap of Cl3GeTl?
Cl3GeTl has a DFT-computed band gap of 1.38–3.32 eV across 8 reported structures.
Is Cl3GeTl a metal, semiconductor, or insulator?
With a wide band gap up to 3.32 eV it is an insulator / wide-band-gap material.
Is Cl3GeTl thermodynamically stable?
Yes — Cl3GeTl sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl3GeTl?
The lowest-energy reported polymorph of Cl3GeTl is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Cl3GeTl?
The computed density of the ground-state structure of Cl3GeTl is 3.92 g/cm³.
How many polymorphs of Cl3GeTl are known?
8 structures of Cl3GeTl are reported across 4 databases, spanning 2 distinct space groups.
What elements does Cl3GeTl contain?
Cl3GeTl contains Cl, Ge, and Tl (3 elements).
Where does the data for Cl3GeTl come from?
Cl3GeTl data is cross-referenced from materials_project, omat24, alexandria, nomad.
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).
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze Cl3GeTl in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →