F3HgK
F3HgK is a stable, semiconducting ternary fluoride compound used in fundamental materials research.
About F3HgK
F3HgK is a thermodynamically stable ternary fluoride compound that occupies a unique position on the convex hull. Its semiconducting nature makes it an intriguing subject for electronic and optical studies, reflecting the complex interplay between the heavy mercury cation and the electronegative fluorine lattice.
Given its status as a stable phase, this material serves as a baseline for understanding mercury-based halide frameworks. It is primarily utilized in fundamental materials science research to explore the structural diversity and electronic behavior of complex inorganic fluorides.
Key Properties
Cross-validated computational properties for F3HgK, 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 F3HgK, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.61 | 0.0000 | -3.635 | 5.30 |
| Pm-3m (No. 221) | — | — | — | — | — |
| — | — | — | — | — | 5.19 |
| — | — | — | — | — | 5.59 |
| — | — | — | — | — | 5.59 |
| — | — | — | — | — | 4.83 |
Applications
Where F3HgK is used.
Frequently Asked Questions
Common questions about F3HgK, answered from cross-validated data.
What is F3HgK?
F3HgK is a stable, semiconducting ternary fluoride compound used in fundamental materials research.
What is F3HgK used for?
What is the band gap of F3HgK?
Is F3HgK a metal, semiconductor, or insulator?
Is F3HgK thermodynamically stable?
What is the crystal structure of F3HgK?
What is the density of F3HgK?
How many polymorphs of F3HgK are known?
What elements does F3HgK contain?
Where does the data for F3HgK come from?
How It Compares
As a distinct ternary fluoride, F3HgK represents a specialized structural motif within its chemical family. While it currently stands as a singular entry in this context, it serves as a foundational example of how mercury-potassium interactions can stabilize specific semiconducting architectures compared to simpler binary fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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