Li4MnF8
Li4MnF8 is a metastable semiconducting compound composed of lithium, manganese, and fluorine.
About Li4MnF8
Li4MnF8 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a specialized phase within inorganic chemistry, offering unique structural configurations that are of significant interest for fundamental materials research.
Its existence across multiple structural databases highlights its importance as a subject of study for researchers mapping the landscape of lithium-manganese-fluorine systems. While it remains a niche material, its specific electronic properties provide a valuable data point for understanding semiconductor behavior in complex fluoride lattices.
Key Properties
Cross-validated computational properties for Li4MnF8, 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 Li4MnF8, 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. |
|---|---|---|---|---|---|
| P2 (No. 3) | monoclinic | 2.25 | 0.0462 | -5.383 | 2.60 |
| I4/mmm (No. 139) | tetragonal | 1.04 | 0.0978 | -5.332 | 2.73 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P2 (No. 3) | — | — | — | — | — |
| P2 (No. 3) | — | — | — | — | — |
| P2 (No. 3) | Monoclinic | — | — | — | 2.69 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.75 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.60 |
Applications
Where Li4MnF8 is used.
Frequently Asked Questions
Common questions about Li4MnF8, answered from cross-validated data.
What is Li4MnF8?
Li4MnF8 is a metastable semiconducting compound composed of lithium, manganese, and fluorine.
What is Li4MnF8 used for?
What is the band gap of Li4MnF8?
Is Li4MnF8 a metal, semiconductor, or insulator?
Is Li4MnF8 thermodynamically stable?
What is the crystal structure of Li4MnF8?
What is the density of Li4MnF8?
How many polymorphs of Li4MnF8 are known?
What elements does Li4MnF8 contain?
Where does the data for Li4MnF8 come from?
How It Compares
As a metastable semiconducting fluoride, Li4MnF8 occupies a distinct position in materials science. Without direct structural siblings in this specific class, it serves as a critical reference point for exploring how lithium and manganese interactions influence the stability and electronic performance of fluoride-based compounds.
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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