As8Ba4Cu4O28
As8Ba4Cu4O28 is a thermodynamically stable semiconducting cuprate oxide containing arsenic, barium, and copper.
About As8Ba4Cu4O28
As8Ba4Cu4O28 is a complex oxide belonging to the cuprate family, characterized by its distinct semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of arsenic, barium, copper, and oxygen atoms. Its stability suggests a well-defined crystalline framework that remains resilient under standard conditions.
This compound serves as an intriguing subject for researchers studying the diverse electronic properties of copper-based oxides. While many cuprates are famous for their high-temperature superconductivity, the semiconducting behavior of this specific stoichiometry highlights the structural versatility of the class and provides a valuable reference point for understanding the transition between insulating and conducting states in related materials.
Key Properties
Cross-validated computational properties for As8Ba4Cu4O28, 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 As8Ba4Cu4O28, 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 | 0.68 | 0.0000 | -6.515 | 4.54 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.21 |
Applications
Where As8Ba4Cu4O28 is used.
Frequently Asked Questions
Common questions about As8Ba4Cu4O28, answered from cross-validated data.
What is As8Ba4Cu4O28?
As8Ba4Cu4O28 is a thermodynamically stable semiconducting cuprate oxide containing arsenic, barium, and copper.
What is As8Ba4Cu4O28 used for?
What is the band gap of As8Ba4Cu4O28?
Is As8Ba4Cu4O28 a metal, semiconductor, or insulator?
Is As8Ba4Cu4O28 thermodynamically stable?
What is the crystal structure of As8Ba4Cu4O28?
What is the density of As8Ba4Cu4O28?
How many polymorphs of As8Ba4Cu4O28 are known?
What elements does As8Ba4Cu4O28 contain?
Where does the data for As8Ba4Cu4O28 come from?
How It Compares
Within the cuprate superconductors class.
Unlike the prototypical high-temperature superconducting cuprate La2CuO4, As8Ba4Cu4O28 exhibits a semiconducting electronic character, positioning it as a distinct member of the class that deviates from the metallic or superconducting trends observed in many other copper-based compounds like BaCuO2 or CaCuO2.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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