Cl2Cu6Nd2O16Se4
Cl2Cu6Nd2O16Se4 is a stable, semimetallic copper-based oxide used in advanced materials research.
About Cl2Cu6Nd2O16Se4
Cl2Cu6Nd2O16Se4 is a complex copper-based oxide belonging to the cuprate family. Its electronic structure exhibits near-zero-gap characteristics, positioning it as a semimetallic material that offers unique insights into the behavior of electrons within layered oxide frameworks.
As a thermodynamically stable phase located on the convex hull, this compound is a robust candidate for structural investigation. It serves as a valuable model for understanding the interplay between copper-oxygen networks and additional anionic species in high-performance ceramic materials.
Key Properties
Cross-validated computational properties for Cl2Cu6Nd2O16Se4, 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 Cl2Cu6Nd2O16Se4, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.02 | 0.0000 | -5.963 | 4.85 |
| Pmmn (No. 59) | — | — | — | — | — |
| — | — | — | — | — | 4.84 |
Applications
Where Cl2Cu6Nd2O16Se4 is used.
Frequently Asked Questions
Common questions about Cl2Cu6Nd2O16Se4, answered from cross-validated data.
What is Cl2Cu6Nd2O16Se4?
Cl2Cu6Nd2O16Se4 is a stable, semimetallic copper-based oxide used in advanced materials research.
What is Cl2Cu6Nd2O16Se4 used for?
What is the band gap of Cl2Cu6Nd2O16Se4?
Is Cl2Cu6Nd2O16Se4 a metal, semiconductor, or insulator?
Is Cl2Cu6Nd2O16Se4 thermodynamically stable?
What is the crystal structure of Cl2Cu6Nd2O16Se4?
What is the density of Cl2Cu6Nd2O16Se4?
How many polymorphs of Cl2Cu6Nd2O16Se4 are known?
What elements does Cl2Cu6Nd2O16Se4 contain?
Where does the data for Cl2Cu6Nd2O16Se4 come from?
How It Compares
Within the cuprate superconductors class.
Within the diverse family of cuprates, Cl2Cu6Nd2O16Se4 distinguishes itself from simpler binary and ternary structures like BaCuO2 or CaCuO2 by incorporating chlorine and selenium into its lattice. While traditional cuprates like La2CuO4 are widely recognized for their roles in high-temperature superconductivity research, this complex quaternary compound provides a distinct structural variation that expands the chemical space of copper-oxide-based materials.
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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