CuF6K2Pr
This complex inorganic compound is a fluoride-based material containing copper, potassium, and praseodymium. It is primarily utilized in specialized solid-state physics research to investigate magnetic properties and electronic interactions within crystalline structures.
Key Properties
Cross-validated computational properties for CuF6K2Pr, aggregated across 4 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 CuF6K2Pr, 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 | 0.32 | 0.2241 | -5.309 | 3.52 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 3.55 |
| — | — | — | — | — | — |
Applications
Where CuF6K2Pr is used.
Frequently Asked Questions
Common questions about CuF6K2Pr, answered from cross-validated data.
What is CuF6K2Pr?
This complex inorganic compound is a fluoride-based material containing copper, potassium, and praseodymium. It is primarily utilized in specialized solid-state physics research to investigate magnetic properties and electronic interactions within crystalline structures.
What is CuF6K2Pr used for?
What is the band gap of CuF6K2Pr?
Is CuF6K2Pr a metal, semiconductor, or insulator?
Is CuF6K2Pr thermodynamically stable?
What is the crystal structure of CuF6K2Pr?
What is the density of CuF6K2Pr?
How many polymorphs of CuF6K2Pr are known?
What elements does CuF6K2Pr contain?
Where does the data for CuF6K2Pr come from?
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).
- alexandria — Data from alexandria.
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