Cl14Nb6Se10
Cl14Nb6Se10 is a stable, semiconducting cluster compound composed of niobium, selenium, and chlorine atoms.
About Cl14Nb6Se10
Cl14Nb6Se10 is a complex inorganic cluster compound characterized by its semiconducting electronic nature. Its presence on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural chemistry research.
This material is primarily utilized in fundamental materials science studies to understand the bonding and electronic behavior of metal-chalcogenide-halide frameworks. Its structural complexity and stability provide a platform for investigating advanced solid-state architectures.
Key Properties
Cross-validated computational properties for Cl14Nb6Se10, 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 Cl14Nb6Se10, 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/m (No. 11) | monoclinic | 1.02 | 0.0000 | -13.708 | 3.77 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 3.39 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Cl14Nb6Se10 is used.
Frequently Asked Questions
Common questions about Cl14Nb6Se10, answered from cross-validated data.
What is Cl14Nb6Se10?
Cl14Nb6Se10 is a stable, semiconducting cluster compound composed of niobium, selenium, and chlorine atoms.
What is Cl14Nb6Se10 used for?
What is the band gap of Cl14Nb6Se10?
Is Cl14Nb6Se10 a metal, semiconductor, or insulator?
Is Cl14Nb6Se10 thermodynamically stable?
What is the crystal structure of Cl14Nb6Se10?
What is the density of Cl14Nb6Se10?
How many polymorphs of Cl14Nb6Se10 are known?
What elements does Cl14Nb6Se10 contain?
Where does the data for Cl14Nb6Se10 come from?
How It Compares
As a unique cluster compound, Cl14Nb6Se10 represents a specialized niche in inorganic chemistry, serving as a distinct example of how niobium, selenium, and chlorine can arrange into stable, semiconducting architectures without reliance on traditional lattice structures.
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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