Li2AgF4
Li2AgF4 is a metastable semiconducting inorganic compound composed of lithium, silver, and fluorine.
About Li2AgF4
Li2AgF4 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents an intriguing subject for solid-state chemistry studies where precise control over synthesis conditions is required to stabilize its structure.
Its unique composition of lithium, silver, and fluorine places it within a niche category of inorganic materials. Research into this compound contributes to the broader understanding of how silver-based fluorides behave under varying structural configurations.
Key Properties
Cross-validated computational properties for Li2AgF4, 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.
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 Li2AgF4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.43 | 0.0345 | -7.869 | 3.93 |
| R-3 (No. 148) | trigonal | 0.56 | 0.0531 | -7.850 | 3.16 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0689 | -7.835 | 3.77 |
| Pna21 (No. 33) | orthorhombic | 0.10 | 0.0889 | -7.815 | 3.92 |
| P4/ncc (No. 130) | tetragonal | 0.63 | 0.0947 | -7.809 | 3.05 |
| P2/c (No. 13) | Monoclinic | — | — | — | 3.77 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.00 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.01 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.93 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.17 |
| P4/ncc (No. 130) | Tetragonal | — | — | — | 3.21 |
| P4/ncc (No. 130) | Tetragonal | — | — | — | 3.22 |
Frequently Asked Questions
Common questions about Li2AgF4, answered from cross-validated data.
What is Li2AgF4?
Li2AgF4 is a metastable semiconducting inorganic compound composed of lithium, silver, and fluorine.
What is the band gap of Li2AgF4?
Is Li2AgF4 a metal, semiconductor, or insulator?
Is Li2AgF4 thermodynamically stable?
What is the crystal structure of Li2AgF4?
What is the density of Li2AgF4?
How many polymorphs of Li2AgF4 are known?
What elements does Li2AgF4 contain?
Where does the data for Li2AgF4 come from?
How It Compares
As a unique inorganic compound, Li2AgF4 serves as a distinct example of a metastable semiconducting fluoride. Without direct structural siblings in this specific class, it stands as an independent reference point for exploring the electronic properties of silver-lithium-fluorine systems.
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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