F6K3Nd
Potassium neodymium fluoride · K3NdF6
Potassium neodymium fluoride is a crystalline inorganic compound composed of potassium, neodymium, and fluorine. It is primarily utilized in materials science research as a precursor for synthesizing specialized optical materials and laser crystals.
Key Properties
Cross-validated computational properties for Potassium neodymium fluoride, 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 F6K3Nd, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 5.61 | 0.1074 | -5.414 | 2.79 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.83 |
| — | — | — | — | — | 2.83 |
| — | — | — | — | — | 2.34 |
| — | — | — | — | — | — |
Applications
Where Potassium neodymium fluoride is used.
Frequently Asked Questions
Common questions about Potassium neodymium fluoride, answered from cross-validated data.
What is F6K3Nd?
Potassium neodymium fluoride is a crystalline inorganic compound composed of potassium, neodymium, and fluorine. It is primarily utilized in materials science research as a precursor for synthesizing specialized optical materials and laser crystals.
What is F6K3Nd used for?
What is the band gap of F6K3Nd?
Is F6K3Nd a metal, semiconductor, or insulator?
Is F6K3Nd thermodynamically stable?
What is the crystal structure of F6K3Nd?
What is the density of F6K3Nd?
How many polymorphs of F6K3Nd are known?
What elements does F6K3Nd contain?
Where does the data for F6K3Nd come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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