Cl18Cu2Nb6Rb2
Cl18Cu2Nb6Rb2 is a metastable, semiconducting inorganic compound composed of niobium, copper, rubidium, and chlorine.
About Cl18Cu2Nb6Rb2
Cl18Cu2Nb6Rb2 is a complex inorganic compound characterized by a semiconducting electronic structure. Its composition, involving niobium, copper, rubidium, and chlorine, places it within a specialized group of halide-based materials that exhibit intricate structural arrangements. As a metastable phase, this material represents a unique state of matter that provides researchers with insights into the synthesis and stability of complex cluster-based compounds. Its existence across multiple structural databases underscores its significance in solid-state chemistry investigations.
Key Properties
Cross-validated computational properties for Cl18Cu2Nb6Rb2, 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 Cl18Cu2Nb6Rb2, 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 | 0.98 | 0.0297 | -5.370 | 3.64 |
| P-1 (No. 2) | triclinic | 0.00 | 2.3395 | -3.060 | 3.64 |
| — | — | — | — | — | 2.95 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl18Cu2Nb6Rb2, answered from cross-validated data.
What is Cl18Cu2Nb6Rb2?
Cl18Cu2Nb6Rb2 is a metastable, semiconducting inorganic compound composed of niobium, copper, rubidium, and chlorine.
What is the band gap of Cl18Cu2Nb6Rb2?
Is Cl18Cu2Nb6Rb2 a metal, semiconductor, or insulator?
Is Cl18Cu2Nb6Rb2 thermodynamically stable?
What is the crystal structure of Cl18Cu2Nb6Rb2?
What is the density of Cl18Cu2Nb6Rb2?
How many polymorphs of Cl18Cu2Nb6Rb2 are known?
What elements does Cl18Cu2Nb6Rb2 contain?
Where does the data for Cl18Cu2Nb6Rb2 come from?
How It Compares
As a unique member of its structural class, Cl18Cu2Nb6Rb2 serves as a foundational example for understanding how niobium-based clusters interact with alkali metals and halogens in a semiconducting framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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