Li4MnF7
Li4MnF7 is a metastable semiconducting fluoride compound used primarily in fundamental materials research to explore complex structural phases.
About Li4MnF7
Li4MnF7 is a complex fluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique structural configuration within the lithium-manganese-fluorine chemical space, offering researchers a distinct pathway for investigating non-equilibrium phase behavior in inorganic solids. Its existence across multiple databases highlights its significance as a subject of ongoing crystallographic study. The material is primarily utilized in experimental research settings where the synthesis and characterization of metastable phases are essential for advancing solid-state chemistry. By providing a platform to study the interplay between lithium mobility and manganese coordination, it serves as a valuable case study for understanding the stability limits of complex halide frameworks.
Key Properties
Cross-validated computational properties for Li4MnF7, 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 Li4MnF7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.92 | 0.0252 | -5.544 | 2.87 |
| F-43m (No. 216) | cubic | 0.00 | 0.0414 | -5.528 | 2.37 |
| C2/c (No. 15) | monoclinic | 2.20 | 0.0507 | -5.518 | 2.43 |
| F-43m (No. 216) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| F-43m (No. 216) | Cubic | — | — | — | 2.37 |
| F-43m (No. 216) | Cubic | — | — | — | 2.51 |
| F-43m (No. 216) | Cubic | — | — | — | 2.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.87 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.02 |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Li4MnF7 is used.
Frequently Asked Questions
Common questions about Li4MnF7, answered from cross-validated data.
What is Li4MnF7?
Li4MnF7 is a metastable semiconducting fluoride compound used primarily in fundamental materials research to explore complex structural phases.
What is Li4MnF7 used for?
What is the band gap of Li4MnF7?
Is Li4MnF7 a metal, semiconductor, or insulator?
Is Li4MnF7 thermodynamically stable?
What is the crystal structure of Li4MnF7?
What is the density of Li4MnF7?
How many polymorphs of Li4MnF7 are known?
What elements does Li4MnF7 contain?
Where does the data for Li4MnF7 come from?
How It Compares
As a metastable semiconducting fluoride, Li4MnF7 occupies a specialized niche in materials science. Without direct structural analogs in its immediate class, it stands as a singular example of how specific stoichiometry can influence the electronic and thermodynamic properties of lithium-rich manganese fluorides.
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.
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