F14K4Pa2
F14K4Pa2 is a stable, insulating fluoride compound containing potassium and protactinium.
About F14K4Pa2
F14K4Pa2 is a complex fluoride compound featuring potassium and protactinium. As a wide-band-gap insulator, it exhibits robust electronic properties typical of stable ionic fluoride lattices.
This material is notable for its thermodynamic stability, sitting directly on the convex hull. Its existence as a well-defined crystalline phase makes it a significant subject for researchers studying the coordination chemistry of actinide fluorides.
Key Properties
Cross-validated computational properties for F14K4Pa2, 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 F14K4Pa2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.88 | 0.0000 | -6.313 | 4.85 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 4.57 |
Applications
Where F14K4Pa2 is used.
Frequently Asked Questions
Common questions about F14K4Pa2, answered from cross-validated data.
What is F14K4Pa2?
F14K4Pa2 is a stable, insulating fluoride compound containing potassium and protactinium.
What is F14K4Pa2 used for?
What is the band gap of F14K4Pa2?
Is F14K4Pa2 a metal, semiconductor, or insulator?
Is F14K4Pa2 thermodynamically stable?
What is the crystal structure of F14K4Pa2?
What is the density of F14K4Pa2?
How many polymorphs of F14K4Pa2 are known?
What elements does F14K4Pa2 contain?
Where does the data for F14K4Pa2 come from?
How It Compares
As a unique fluoride phase, F14K4Pa2 represents a specialized structural arrangement within the broader landscape of actinide-based halide materials. It serves as a benchmark for stability in complex fluorides, providing insight into how heavy elements like protactinium integrate into alkali-metal-rich crystalline frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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