F4HoK
F4HoK is a thermodynamically stable, wide-band-gap insulating fluoride compound containing potassium and holmium.
About F4HoK
F4HoK is a complex fluoride compound composed of potassium, holmium, and fluorine. As a thermodynamically stable member of its class, it sits on the convex hull, indicating a robust structural arrangement that resists decomposition under standard conditions. Its electronic character is defined by a wide band gap, classifying it as an insulator with significant potential for applications requiring stable, non-conductive inorganic materials. This compound is of particular interest in fundamental materials research due to its unique combination of rare-earth elements and halide chemistry, which often leads to specialized optical or magnetic properties. Its stability makes it a reliable candidate for further investigation in synthetic chemistry and solid-state physics.
Key Properties
Cross-validated computational properties for F4HoK, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of F4HoK. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for F4HoK, 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. |
|---|---|---|---|---|---|
| P31 (No. 144) | trigonal | 6.75 | 0.0000 | -6.256 | 4.70 |
| — | — | — | — | — | — |
| P31 (No. 144) | trigonal | — | — | — | 1.57 |
Applications
Where F4HoK is used.
Frequently Asked Questions
Common questions about F4HoK, answered from cross-validated data.
What is F4HoK?
F4HoK is a thermodynamically stable, wide-band-gap insulating fluoride compound containing potassium and holmium.
What is F4HoK used for?
What is the band gap of F4HoK?
Is F4HoK a metal, semiconductor, or insulator?
Is F4HoK thermodynamically stable?
What is the crystal structure of F4HoK?
What is the density of F4HoK?
How many polymorphs of F4HoK are known?
What elements does F4HoK contain?
Where does the data for F4HoK come from?
How It Compares
As a distinct fluoride compound, F4HoK represents a stable structural configuration within the broader landscape of rare-earth potassium halides. While it occupies a unique position in this chemical space, it shares the fundamental insulating characteristics common to highly stable, wide-band-gap ionic solids.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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