F16K4Pr4
F16K4Pr4 is a stable, insulating fluoride compound containing potassium and praseodymium.
About F16K4Pr4
F16K4Pr4 is a complex fluoride compound composed of potassium, praseodymium, and fluorine. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits a wide-band-gap insulating electronic character, which is typical for many stable metal fluorides. Its unique composition makes it a subject of interest for fundamental structural studies and potential applications in advanced materials science where insulating properties are required.
Key Properties
Cross-validated computational properties for F16K4Pr4, 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 F16K4Pr4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 7.13 | 0.0000 | -6.232 | 4.64 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.15 |
Applications
Where F16K4Pr4 is used.
Frequently Asked Questions
Common questions about F16K4Pr4, answered from cross-validated data.
What is F16K4Pr4?
F16K4Pr4 is a stable, insulating fluoride compound containing potassium and praseodymium.
What is F16K4Pr4 used for?
What is the band gap of F16K4Pr4?
Is F16K4Pr4 a metal, semiconductor, or insulator?
Is F16K4Pr4 thermodynamically stable?
What is the crystal structure of F16K4Pr4?
What is the density of F16K4Pr4?
How many polymorphs of F16K4Pr4 are known?
What elements does F16K4Pr4 contain?
Where does the data for F16K4Pr4 come from?
How It Compares
As a distinct fluoride phase, F16K4Pr4 serves as a foundational example of stability within its specific chemical system, providing a benchmark for structural analysis in the absence of other closely related compounds.
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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