Ce2Cl2Te2
Ce2Cl2Te2 is a semimetallic ternary compound containing cerium, chlorine, and tellurium that is considered a viable candidate for laboratory synthesis.
About Ce2Cl2Te2
Ce2Cl2Te2 is a complex inorganic compound composed of cerium, chlorine, and tellurium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators. Its thermodynamic profile suggests it sits near the stability hull, indicating it is a viable candidate for experimental synthesis and structural characterization. The material's distinct chemical composition allows for unique bonding interactions between the rare-earth metal and the chalcogen-halide framework. This structural arrangement is of significant interest for researchers exploring the electronic properties of ternary halide-chalcogenides. Given its status as a near-hull phase, it represents a promising target for advanced materials development.
Key Properties
Cross-validated computational properties for Ce2Cl2Te2, 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 Ce2Cl2Te2, 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 | 0.01 | 0.0242 | -5.746 | 6.00 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0309 | -5.740 | 6.04 |
| — | — | — | — | — | 5.15 |
| P4/nmm (No. 129) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ce2Cl2Te2, answered from cross-validated data.
What is Ce2Cl2Te2?
Ce2Cl2Te2 is a semimetallic ternary compound containing cerium, chlorine, and tellurium that is considered a viable candidate for laboratory synthesis.
What is the band gap of Ce2Cl2Te2?
Is Ce2Cl2Te2 a metal, semiconductor, or insulator?
Is Ce2Cl2Te2 thermodynamically stable?
What is the crystal structure of Ce2Cl2Te2?
What is the density of Ce2Cl2Te2?
How many polymorphs of Ce2Cl2Te2 are known?
What elements does Ce2Cl2Te2 contain?
Where does the data for Ce2Cl2Te2 come from?
How It Compares
As a specialized ternary compound, Ce2Cl2Te2 occupies a unique niche in materials science. While many similar rare-earth halide-chalcogenides are investigated for their magnetic or transport properties, this specific stoichiometry offers a distinct electronic signature that distinguishes it from more common, wide-gap insulating analogs.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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