Cu2O12Te2Tl8
Cu2O12Te2Tl8 is a thermodynamically stable, semiconducting cuprate compound composed of copper, oxygen, tellurium, and thallium.
About Cu2O12Te2Tl8
Cu2O12Te2Tl8 is a complex cuprate that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a semiconducting member of the cuprate family, it offers a unique electronic profile distinct from the metallic behavior often associated with high-temperature superconducting oxides. Its structural arrangement highlights the versatility of copper-oxygen coordination when integrated with tellurium and thallium frameworks. This compound serves as a valuable subject for investigating the interplay between transition metals and heavy main-group elements in solid-state chemistry. Its existence across multiple structural configurations underscores its importance in understanding the phase stability of complex oxide systems.
Key Properties
Cross-validated computational properties for Cu2O12Te2Tl8, 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 Cu2O12Te2Tl8, 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-1 (No. 2) | triclinic | 0.47 | 0.0000 | -5.019 | 8.16 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 6.62 |
Applications
Where Cu2O12Te2Tl8 is used.
Frequently Asked Questions
Common questions about Cu2O12Te2Tl8, answered from cross-validated data.
What is Cu2O12Te2Tl8?
Cu2O12Te2Tl8 is a thermodynamically stable, semiconducting cuprate compound composed of copper, oxygen, tellurium, and thallium.
What is Cu2O12Te2Tl8 used for?
What is the band gap of Cu2O12Te2Tl8?
Is Cu2O12Te2Tl8 a metal, semiconductor, or insulator?
Is Cu2O12Te2Tl8 thermodynamically stable?
What is the crystal structure of Cu2O12Te2Tl8?
What is the density of Cu2O12Te2Tl8?
How many polymorphs of Cu2O12Te2Tl8 are known?
What elements does Cu2O12Te2Tl8 contain?
Where does the data for Cu2O12Te2Tl8 come from?
How It Compares
Within the cuprate superconductors class.
Within the diverse class of cuprates, Cu2O12Te2Tl8 stands out for its semiconducting nature compared to the more commonly studied metallic or superconducting cuprates like La2CuO4 or CaCuO2. While many members of this class are investigated primarily for their high-temperature superconductivity, this compound provides a stable, non-metallic reference point that helps researchers map the broader electronic landscape of copper-based oxides.
Related Compounds
Other Cuprate Superconductors in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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