ZnCoF6
ZnCoF6 is a stable, semiconducting inorganic fluoride compound characterized by its diverse structural configurations.
About ZnCoF6
ZnCoF6 is a complex fluoride compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating the interplay between transition metal centers and fluoride coordination environments.
With multiple reported structural variations across major databases, this material offers a rich landscape for crystallographic study. Its stability suggests potential utility in specialized chemical or electronic applications where robust, well-defined inorganic frameworks are required.
Key Properties
Cross-validated computational properties for ZnCoF6, 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 ZnCoF6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.67 | 0.0000 | -4.587 | 4.44 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.64 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.15 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.96 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where ZnCoF6 is used.
Frequently Asked Questions
Common questions about ZnCoF6, answered from cross-validated data.
What is ZnCoF6?
ZnCoF6 is a stable, semiconducting inorganic fluoride compound characterized by its diverse structural configurations.
What is ZnCoF6 used for?
What is the band gap of ZnCoF6?
Is ZnCoF6 a metal, semiconductor, or insulator?
Is ZnCoF6 thermodynamically stable?
What is the crystal structure of ZnCoF6?
What is the density of ZnCoF6?
How many polymorphs of ZnCoF6 are known?
What elements does ZnCoF6 contain?
Where does the data for ZnCoF6 come from?
How It Compares
As a distinct inorganic fluoride, ZnCoF6 represents a unique structural arrangement within the broader family of transition metal fluorides. While many similar compounds are studied for their magnetic or catalytic properties, this material is notable for its confirmed thermodynamic stability, which distinguishes it from more metastable phases that often require specific synthesis conditions to isolate.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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