Cl6Gd4
Cl6Gd4 is a stable, semiconducting gadolinium chloride used in fundamental materials research.
About Cl6Gd4
Cl6Gd4 is a thermodynamically stable inorganic compound composed of gadolinium and chlorine. As a member of the rare-earth halide family, it exhibits semiconducting electronic properties that make it a subject of interest in solid-state chemistry and materials science.
Its stability on the convex hull indicates a robust structural configuration, providing a reliable baseline for researchers investigating rare-earth metal halide systems. This compound serves as a critical model for understanding the electronic behavior and bonding characteristics of gadolinium-based halides.
Key Properties
Cross-validated computational properties for Cl6Gd4, 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 Cl6Gd4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.18 | 0.0000 | -23.102 | 5.11 |
| Cm (No. 8) | monoclinic | 0.12 | 0.0035 | -23.099 | 5.16 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.31 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Cl6Gd4 is used.
Frequently Asked Questions
Common questions about Cl6Gd4, answered from cross-validated data.
What is Cl6Gd4?
Cl6Gd4 is a stable, semiconducting gadolinium chloride used in fundamental materials research.
What is Cl6Gd4 used for?
What is the band gap of Cl6Gd4?
Is Cl6Gd4 a metal, semiconductor, or insulator?
Is Cl6Gd4 thermodynamically stable?
What is the crystal structure of Cl6Gd4?
What is the density of Cl6Gd4?
How many polymorphs of Cl6Gd4 are known?
What elements does Cl6Gd4 contain?
Where does the data for Cl6Gd4 come from?
How It Compares
As a distinct rare-earth halide, Cl6Gd4 occupies a unique position in materials science due to its thermodynamic stability and semiconducting nature, serving as a foundational example for the study of gadolinium-based binary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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