Cl18Nb2Te2
Cl18Nb2Te2 is a semiconducting niobium telluride chloride compound that is theoretically predicted to be stable enough for laboratory synthesis.
About Cl18Nb2Te2
Cl18Nb2Te2 is a complex inorganic compound composed of niobium, tellurium, and chlorine. It exhibits semiconducting electronic properties, positioning it as an intriguing candidate for specialized electronic and optoelectronic research applications.
As a near-hull material, it is considered likely to be synthesizable under appropriate laboratory conditions. The existence of multiple reported structures across databases highlights its structural complexity and the ongoing interest in its potential chemical behavior.
Key Properties
Cross-validated computational properties for Cl18Nb2Te2, 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 Cl18Nb2Te2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.22 | 0.0032 | -4.164 | 2.47 |
| P-1 (No. 2) | triclinic | 2.17 | 0.0108 | -4.156 | 2.78 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.41 |
Applications
Where Cl18Nb2Te2 is used.
Frequently Asked Questions
Common questions about Cl18Nb2Te2, answered from cross-validated data.
What is Cl18Nb2Te2?
Cl18Nb2Te2 is a semiconducting niobium telluride chloride compound that is theoretically predicted to be stable enough for laboratory synthesis.
What is Cl18Nb2Te2 used for?
What is the band gap of Cl18Nb2Te2?
Is Cl18Nb2Te2 a metal, semiconductor, or insulator?
Is Cl18Nb2Te2 thermodynamically stable?
What is the crystal structure of Cl18Nb2Te2?
What is the density of Cl18Nb2Te2?
How many polymorphs of Cl18Nb2Te2 are known?
What elements does Cl18Nb2Te2 contain?
Where does the data for Cl18Nb2Te2 come from?
How It Compares
As a unique ternary halide-chalcogenide, Cl18Nb2Te2 occupies a specialized niche in materials science. Without direct class siblings for comparison, it stands as a distinct example of how combining transition metals with both chalcogens and halogens creates complex, stable frameworks that challenge conventional structural classification.
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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