As4Cu4O16Tl8
As4Cu4O16Tl8 is a semiconducting quaternary cuprate oxide that is considered a promising candidate for experimental synthesis.
About As4Cu4O16Tl8
As4Cu4O16Tl8 is a complex quaternary oxide categorized within the cuprate superconductor class. Its electronic character is defined as semiconducting, distinguishing it from the metallic behavior often associated with high-temperature superconducting cuprates, and it occupies a near-hull position that suggests it is a viable target for experimental synthesis.
This material is of significant interest to researchers studying the structural diversity of copper-based oxides. With multiple reported structures, it serves as a valuable case study for understanding the coordination environments and chemical stability of thallium-bearing cuprates in solid-state chemistry.
Key Properties
Cross-validated computational properties for As4Cu4O16Tl8, 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 As4Cu4O16Tl8, 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/c (No. 14) | monoclinic | 1.44 | 0.0062 | -5.478 | 6.86 |
| P21 (No. 4) | monoclinic | 1.61 | 0.0184 | -5.465 | 6.80 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 5.39 |
| — | — | — | — | — | 6.42 |
Applications
Where As4Cu4O16Tl8 is used.
Frequently Asked Questions
Common questions about As4Cu4O16Tl8, answered from cross-validated data.
What is As4Cu4O16Tl8?
As4Cu4O16Tl8 is a semiconducting quaternary cuprate oxide that is considered a promising candidate for experimental synthesis.
What is As4Cu4O16Tl8 used for?
What is the band gap of As4Cu4O16Tl8?
Is As4Cu4O16Tl8 a metal, semiconductor, or insulator?
Is As4Cu4O16Tl8 thermodynamically stable?
What is the crystal structure of As4Cu4O16Tl8?
What is the density of As4Cu4O16Tl8?
How many polymorphs of As4Cu4O16Tl8 are known?
What elements does As4Cu4O16Tl8 contain?
Where does the data for As4Cu4O16Tl8 come from?
How It Compares
Within the cuprate superconductors class.
Within the diverse family of cuprates, As4Cu4O16Tl8 stands out due to its unique stoichiometry compared to simpler binary or ternary oxides like CaCuO2 or LaCuO2. While many members of this class are investigated for their metallic or superconducting phases, this compound provides a distinct semiconducting perspective, offering a different structural template than the well-known La2CuO4 or TlCuO2 systems.
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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