F24O6Tc6
F24O6Tc6 is a stable, semiconducting technetium oxyfluoride compound used in materials science research.
About F24O6Tc6
F24O6Tc6 is a complex inorganic compound composed of technetium, oxygen, and fluorine. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration within its chemical system, offering significant interest for researchers studying transition metal oxyfluorides.
The electronic character of this compound is defined as semiconducting, which suggests potential utility in specialized electronic or optoelectronic applications. Its existence across multiple structural databases highlights its importance as a well-characterized phase in the broader landscape of technetium-based materials.
Key Properties
Cross-validated computational properties for F24O6Tc6, 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 F24O6Tc6, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 0.99 | 0.0000 | -6.145 | 3.47 |
| — | — | — | — | — | 3.09 |
| P63/m (No. 176) | — | — | — | — | — |
Applications
Where F24O6Tc6 is used.
Frequently Asked Questions
Common questions about F24O6Tc6, answered from cross-validated data.
What is F24O6Tc6?
F24O6Tc6 is a stable, semiconducting technetium oxyfluoride compound used in materials science research.
What is F24O6Tc6 used for?
What is the band gap of F24O6Tc6?
Is F24O6Tc6 a metal, semiconductor, or insulator?
Is F24O6Tc6 thermodynamically stable?
What is the crystal structure of F24O6Tc6?
What is the density of F24O6Tc6?
How many polymorphs of F24O6Tc6 are known?
What elements does F24O6Tc6 contain?
Where does the data for F24O6Tc6 come from?
How It Compares
As a unique phase within its specific chemical system, F24O6Tc6 serves as a primary reference point for understanding the interplay between technetium, oxygen, and fluorine. Unlike more common binary oxides, this complex stoichiometry demonstrates the structural diversity achievable through the incorporation of fluorine into the technetium-oxygen 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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