F1O3Tc1
F1O3Tc1 is a semiconducting technetium oxyfluoride that is considered theoretically stable enough for potential laboratory synthesis.
About F1O3Tc1
F1O3Tc1 is a semiconducting inorganic compound composed of fluorine, oxygen, and technetium. Its electronic properties and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and further characterization in laboratory settings.
As a technetium-based oxyfluoride, this material occupies a unique niche in inorganic chemistry. Its existence as a potentially synthesizable phase provides researchers with a rare opportunity to study the bonding and structural behavior of technetium in complex anionic environments.
Key Properties
Cross-validated computational properties for F1O3Tc1, 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 F1O3Tc1, 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/c (No. 14) | monoclinic | 2.44 | 0.0213 | -7.350 | 3.64 |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.02 |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where F1O3Tc1 is used.
Frequently Asked Questions
Common questions about F1O3Tc1, answered from cross-validated data.
What is F1O3Tc1?
F1O3Tc1 is a semiconducting technetium oxyfluoride that is considered theoretically stable enough for potential laboratory synthesis.
What is F1O3Tc1 used for?
What is the band gap of F1O3Tc1?
Is F1O3Tc1 a metal, semiconductor, or insulator?
Is F1O3Tc1 thermodynamically stable?
What is the crystal structure of F1O3Tc1?
What is the density of F1O3Tc1?
How many polymorphs of F1O3Tc1 are known?
What elements does F1O3Tc1 contain?
Where does the data for F1O3Tc1 come from?
How It Compares
As a singular entry in its immediate chemical grouping, F1O3Tc1 serves as a foundational reference point for understanding the interplay between technetium, oxygen, and fluorine. Unlike more common transition metal oxides, its specific stoichiometry highlights the distinct coordination chemistry required to stabilize technetium in this oxidation state.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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