Cl1Cu1La1Nb2O7
Cl1Cu1La1Nb2O7 is a metastable, semiconducting oxychloride cuprate characterized by a complex layered structure containing niobium.
About Cl1Cu1La1Nb2O7
Cl1Cu1La1Nb2O7 is a complex oxychloride cuprate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized structural arrangement within the broader family of copper-based oxides, offering researchers a distinct platform for studying electronic correlations in non-superconducting cuprate derivatives.
Its significance lies in the integration of chlorine into the layered lattice, which modifies the local coordination environment of the copper ions. This structural complexity is of high interest for materials scientists aiming to tune the electronic properties of transition metal oxides through anion substitution.
Key Properties
Cross-validated computational properties for Cl1Cu1La1Nb2O7, aggregated across 2 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 Cl1Cu1La1Nb2O7, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.31 | 0.0397 | -8.294 | 4.82 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.0587 | -8.275 | 4.82 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0658 | -8.268 | 4.88 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cl1Cu1La1Nb2O7 is used.
Patent Landscape
2 patents reference Cl1Cu1La1Nb2O7 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
| 8263193 | Vacuum treatment method | — | — |
Frequently Asked Questions
Common questions about Cl1Cu1La1Nb2O7, answered from cross-validated data.
What is Cl1Cu1La1Nb2O7?
Cl1Cu1La1Nb2O7 is a metastable, semiconducting oxychloride cuprate characterized by a complex layered structure containing niobium.
What is Cl1Cu1La1Nb2O7 used for?
What is the band gap of Cl1Cu1La1Nb2O7?
Is Cl1Cu1La1Nb2O7 a metal, semiconductor, or insulator?
Is Cl1Cu1La1Nb2O7 thermodynamically stable?
What is the crystal structure of Cl1Cu1La1Nb2O7?
What is the density of Cl1Cu1La1Nb2O7?
How many polymorphs of Cl1Cu1La1Nb2O7 are known?
What elements does Cl1Cu1La1Nb2O7 contain?
Where does the data for Cl1Cu1La1Nb2O7 come from?
How It Compares
Within the cuprate superconductors class.
Unlike the prototypical superconducting cuprate La2CuO4, which is widely studied for its magnetic and metallic transitions, Cl1Cu1La1Nb2O7 remains a semiconducting material with distinct thermodynamic constraints. While members like CaCuO2 are often investigated for their simple, infinite-layer structures, this compound utilizes a more intricate niobium-containing framework that sets it apart from the binary and ternary copper-oxide phases.
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).
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