DyF6K3
DyF6K3 is a stable, insulating inorganic compound containing dysprosium, potassium, and fluorine.
About DyF6K3
DyF6K3 is a complex inorganic compound composed of dysprosium, fluorine, and potassium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it an interesting subject for fundamental materials research.
This material is thermodynamically stable, sitting on the convex hull, which suggests a high degree of structural integrity. Its existence across multiple databases highlights its significance as a well-documented phase in solid-state chemistry.
Key Properties
Cross-validated computational properties for DyF6K3, 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 DyF6K3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 6.67 | 0.0000 | -5.547 | 3.55 |
| Fm-3m (No. 225) | cubic | 5.92 | 0.0691 | -5.478 | 3.14 |
| I4/mmm (No. 139) | tetragonal | 5.15 | 0.1035 | -5.443 | 2.79 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 2.70 |
| — | — | — | — | — | 2.67 |
Frequently Asked Questions
Common questions about DyF6K3, answered from cross-validated data.
What is DyF6K3?
DyF6K3 is a stable, insulating inorganic compound containing dysprosium, potassium, and fluorine.
What is the band gap of DyF6K3?
Is DyF6K3 a metal, semiconductor, or insulator?
Is DyF6K3 thermodynamically stable?
What is the crystal structure of DyF6K3?
What is the density of DyF6K3?
How many polymorphs of DyF6K3 are known?
What elements does DyF6K3 contain?
Where does the data for DyF6K3 come from?
How It Compares
As a distinct inorganic phase, DyF6K3 represents a stable configuration within the broader landscape of rare-earth fluoride-based materials, serving as a reference point for understanding the structural chemistry of complex potassium-dysprosium-fluorine 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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