LiCuF2
LiCuF2 is a metastable semiconducting compound composed of lithium, copper, and fluorine.
About LiCuF2
LiCuF2 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the broader landscape of lithium-copper-fluorine chemistry, offering researchers a distinct structural profile for investigation.
Its significance lies in its potential role in advanced materials research where specific electronic behaviors are required. Given its metastable status, it serves as an intriguing subject for studies focused on phase stability and the synthesis of unconventional inorganic compounds.
Key Properties
Cross-validated computational properties for LiCuF2, 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 LiCuF2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.89 | 0.0452 | -7.101 | 4.41 |
| P21/c (No. 14) | monoclinic | 1.74 | 0.0621 | -7.084 | 3.83 |
| R-3m (No. 166) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.83 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.37 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.21 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.97 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.26 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.01 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.74 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.70 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.06 |
Applications
Where LiCuF2 is used.
Frequently Asked Questions
Common questions about LiCuF2, answered from cross-validated data.
What is LiCuF2?
LiCuF2 is a metastable semiconducting compound composed of lithium, copper, and fluorine.
What is LiCuF2 used for?
What is the band gap of LiCuF2?
Is LiCuF2 a metal, semiconductor, or insulator?
Is LiCuF2 thermodynamically stable?
What is the crystal structure of LiCuF2?
What is the density of LiCuF2?
How many polymorphs of LiCuF2 are known?
What elements does LiCuF2 contain?
Where does the data for LiCuF2 come from?
How It Compares
As a unique inorganic compound, LiCuF2 occupies a specialized niche in materials science. Without direct structural siblings, it stands as a distinct entry that highlights the diversity of ternary fluorides and the complexity of synthesizing metastable phases in this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze LiCuF2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →