Cl4Cu4O10Te4
Cl4Cu4O10Te4 is a complex, near-zero-gap semimetallic compound containing copper, tellurium, oxygen, and chlorine.
About Cl4Cu4O10Te4
Cl4Cu4O10Te4 is a complex quaternary compound composed of chlorine, copper, oxygen, and tellurium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between insulating oxides and conductive metallic phases.
This material is considered thermodynamically near the convex hull, suggesting it is a viable target for experimental synthesis. Its structural complexity and electronic properties make it a subject of interest for researchers investigating novel inorganic frameworks with potential for tunable electronic behavior.
Key Properties
Cross-validated computational properties for Cl4Cu4O10Te4, 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 Cl4Cu4O10Te4, 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. |
|---|---|---|---|---|---|
| P-4 (No. 81) | tetragonal | 0.07 | 0.0087 | -5.130 | 4.61 |
| — | — | — | — | — | 4.54 |
| P-4 (No. 81) | — | — | — | — | — |
| — | — | — | — | — | 4.54 |
Applications
Where Cl4Cu4O10Te4 is used.
Frequently Asked Questions
Common questions about Cl4Cu4O10Te4, answered from cross-validated data.
What is Cl4Cu4O10Te4?
Cl4Cu4O10Te4 is a complex, near-zero-gap semimetallic compound containing copper, tellurium, oxygen, and chlorine.
What is Cl4Cu4O10Te4 used for?
What is the band gap of Cl4Cu4O10Te4?
Is Cl4Cu4O10Te4 a metal, semiconductor, or insulator?
Is Cl4Cu4O10Te4 thermodynamically stable?
What is the crystal structure of Cl4Cu4O10Te4?
What is the density of Cl4Cu4O10Te4?
How many polymorphs of Cl4Cu4O10Te4 are known?
What elements does Cl4Cu4O10Te4 contain?
Where does the data for Cl4Cu4O10Te4 come from?
How It Compares
As a unique quaternary phase, this compound represents a specialized niche in inorganic chemistry where the interplay between tellurium-based anionic frameworks and copper-chlorine coordination creates distinct electronic signatures. It serves as a structural reference point for exploring the stability limits of copper-tellurate systems.
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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