K2CuF4
Potassium copper fluoride
This compound is a crystalline inorganic material primarily studied for its unique magnetic properties. It is frequently utilized in solid-state physics research to investigate low-dimensional magnetism and phase transitions.
CuFK
Overview
Key Properties
Cross-validated computational properties for K2CuF4, 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.
0.38 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2CuF4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.38 | 0.0000 | -4.541 | 3.38 |
| I41/acd (No. 142) | tetragonal | 0.34 | 0.0000 | -4.541 | 3.37 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0040 | -4.537 | 3.40 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0150 | -4.526 | 3.42 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0601 | -4.481 | 3.36 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.49 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.25 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.36 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.33 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.50 |
| Cmce (No. 64) | — | — | — | — | — |
Uses
Applications
Where K2CuF4 is used.
Solid-state physics researchMagnetic material studiesCondensed matter experiments
Reference
Frequently Asked Questions
Common questions about K2CuF4, answered from cross-validated data.
What is K2CuF4?
This compound is a crystalline inorganic material primarily studied for its unique magnetic properties. It is frequently utilized in solid-state physics research to investigate low-dimensional magnetism and phase transitions.
More questions
What is K2CuF4 used for?
K2CuF4 is used in solid-state physics research, magnetic material studies, and condensed matter experiments.
What is the band gap of K2CuF4?
K2CuF4 has a DFT-computed band gap of 0.38 eV across 17 reported structures.
Is K2CuF4 a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is K2CuF4 thermodynamically stable?
Yes — K2CuF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2CuF4?
The lowest-energy reported polymorph of K2CuF4 is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of K2CuF4?
The computed density of the ground-state structure of K2CuF4 is 3.38 g/cm³.
How many polymorphs of K2CuF4 are known?
17 structures of K2CuF4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does K2CuF4 contain?
K2CuF4 contains Cu, F, and K (3 elements).
Where does the data for K2CuF4 come from?
K2CuF4 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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