F15Nb6
F15Nb6 is a thermodynamically stable semiconducting compound composed of niobium and fluorine.
About F15Nb6
F15Nb6 is a semiconducting niobium fluoride that occupies a stable position on the convex hull. Its existence as a thermodynamically favored phase makes it a subject of interest for researchers investigating the complex chemistry of metal-fluorine systems.
With multiple reported structures across databases, this compound demonstrates structural diversity within the niobium-fluorine binary system. Its electronic character suggests potential utility in specialized semiconductor applications where specific fluoride-based coordination environments are required.
Key Properties
Cross-validated computational properties for F15Nb6, 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 F15Nb6, 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. |
|---|---|---|---|---|---|
| Im-3m (No. 229) | cubic | 0.15 | 0.0000 | -12.196 | 4.99 |
| — | — | — | — | — | 4.81 |
| Im-3m (No. 229) | — | — | — | — | — |
| Im-3m (No. 229) | — | — | — | — | — |
Applications
Where F15Nb6 is used.
Frequently Asked Questions
Common questions about F15Nb6, answered from cross-validated data.
What is F15Nb6?
F15Nb6 is a thermodynamically stable semiconducting compound composed of niobium and fluorine.
What is F15Nb6 used for?
What is the band gap of F15Nb6?
Is F15Nb6 a metal, semiconductor, or insulator?
Is F15Nb6 thermodynamically stable?
What is the crystal structure of F15Nb6?
What is the density of F15Nb6?
How many polymorphs of F15Nb6 are known?
What elements does F15Nb6 contain?
Where does the data for F15Nb6 come from?
How It Compares
As a thermodynamically stable binary phase, F15Nb6 represents a distinct structural arrangement within the broader landscape of niobium fluorides, serving as a key reference point for understanding the phase stability of metal-rich fluoride compounds.
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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