Li5MnF8
Li5MnF8 is a metastable semiconducting lithium manganese fluoride compound.
About Li5MnF8
Li5MnF8 is a complex lithium manganese fluoride compound that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the broader landscape of metal fluoride materials, offering researchers a distinct platform for studying ion transport and coordination chemistry.
Its significance lies in the interplay between the lithium and manganese sublattices, which influences its stability and electronic properties. While it remains an area of specialized study, its existence as a documented phase provides valuable insights into the synthesis and behavior of multi-component fluoride systems.
Key Properties
Cross-validated computational properties for Li5MnF8, 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 Li5MnF8, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 1.98 | 0.0406 | -5.458 | 2.72 |
| Immm (No. 71) | orthorhombic | 1.99 | 0.0445 | -5.454 | 2.71 |
| Immm (No. 71) | — | — | — | — | — |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.71 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.86 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.72 |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.82 |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.85 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.83 |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Li5MnF8 is used.
Frequently Asked Questions
Common questions about Li5MnF8, answered from cross-validated data.
What is Li5MnF8?
Li5MnF8 is a metastable semiconducting lithium manganese fluoride compound.
What is Li5MnF8 used for?
What is the band gap of Li5MnF8?
Is Li5MnF8 a metal, semiconductor, or insulator?
Is Li5MnF8 thermodynamically stable?
What is the crystal structure of Li5MnF8?
What is the density of Li5MnF8?
How many polymorphs of Li5MnF8 are known?
What elements does Li5MnF8 contain?
Where does the data for Li5MnF8 come from?
How It Compares
As a unique fluoride phase, Li5MnF8 serves as a distinct case study for understanding how stoichiometry and structural arrangement dictate the properties of lithium-rich metal fluorides. It occupies a specialized niche, highlighting the diversity of phases that can emerge in complex ternary systems where manganese and lithium are integrated into a fluoride framework.
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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