LiCu2F5
This inorganic compound is a complex fluoride containing lithium and copper. It is primarily studied by researchers in solid-state chemistry to understand magnetic interactions and structural properties within crystalline lattices.
CuFLi
Overview
Key Properties
Cross-validated computational properties for LiCu2F5, aggregated across 2 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.
0.27–0.70 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.
0.035 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
2 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiCu2F5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0351 | -7.087 | 3.80 |
| C2/c (No. 15) | monoclinic | 0.27 | 0.0821 | -7.040 | 3.68 |
| Pnma (No. 62) | orthorhombic | 0.41 | 0.0960 | -7.026 | 3.60 |
| P42/nbc (No. 133) | tetragonal | 0.70 | 0.1013 | -7.021 | 2.46 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.68 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.00 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.80 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.98 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.79 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.60 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.85 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.80 |
Uses
Applications
Where LiCu2F5 is used.
Solid-state physics researchMagnetic materials studyCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about LiCu2F5, answered from cross-validated data.
What is LiCu2F5?
This inorganic compound is a complex fluoride containing lithium and copper. It is primarily studied by researchers in solid-state chemistry to understand magnetic interactions and structural properties within crystalline lattices.
More questions
What is LiCu2F5 used for?
LiCu2F5 is used in solid-state physics research, magnetic materials study, and crystallographic analysis.
What is the band gap of LiCu2F5?
LiCu2F5 has a DFT-computed band gap of 0.27–0.70 eV across 13 reported structures.
Is LiCu2F5 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is LiCu2F5 thermodynamically stable?
LiCu2F5 has a lowest energy above hull of 0.035 eV/atom (metastable).
What is the crystal structure of LiCu2F5?
The lowest-energy reported polymorph of LiCu2F5 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of LiCu2F5?
The computed density of the ground-state structure of LiCu2F5 is 3.80 g/cm³.
How many polymorphs of LiCu2F5 are known?
13 structures of LiCu2F5 are reported across 2 databases, spanning 4 distinct space groups.
What elements does LiCu2F5 contain?
LiCu2F5 contains Cu, F, and Li (3 elements).
Where does the data for LiCu2F5 come from?
LiCu2F5 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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