Li3MnF5
Li3MnF5 is a metastable, insulating fluoride compound studied for its structural properties in solid-state materials research.
About Li3MnF5
Li3MnF5 is a complex fluoride characterized by its wide-band-gap insulating electronic profile. As a metastable phase, it represents a specialized configuration within the broader family of lithium-manganese-fluorine compounds, offering unique structural arrangements that are of significant interest for fundamental materials science studies.
Its existence is documented across multiple structural databases, highlighting its role as a subject of ongoing investigation. The compound is primarily studied for its potential utility in specialized electrochemical or solid-state applications where wide-gap insulating properties are required.
Key Properties
Cross-validated computational properties for Li3MnF5, 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 Li3MnF5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.05 | 0.0469 | -5.769 | 2.60 |
| P1 (No. 1) | triclinic | 4.34 | 0.0479 | -5.768 | 2.95 |
| P-1 (No. 2) | triclinic | 4.37 | 0.0496 | -5.767 | 2.89 |
| Pnma (No. 62) | orthorhombic | 3.85 | 0.0831 | -5.733 | 2.40 |
| P41 (No. 76) | tetragonal | 4.86 | 0.1010 | -5.715 | 3.01 |
| P212121 (No. 19) | orthorhombic | 4.48 | 0.1037 | -5.713 | 2.96 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.07 |
Applications
Where Li3MnF5 is used.
Frequently Asked Questions
Common questions about Li3MnF5, answered from cross-validated data.
What is Li3MnF5?
Li3MnF5 is a metastable, insulating fluoride compound studied for its structural properties in solid-state materials research.
What is Li3MnF5 used for?
What is the band gap of Li3MnF5?
Is Li3MnF5 a metal, semiconductor, or insulator?
Is Li3MnF5 thermodynamically stable?
What is the crystal structure of Li3MnF5?
What is the density of Li3MnF5?
How many polymorphs of Li3MnF5 are known?
What elements does Li3MnF5 contain?
Where does the data for Li3MnF5 come from?
How It Compares
As a metastable fluoride, Li3MnF5 occupies a distinct niche in materials research, serving as a model system for understanding the structural diversity and phase stability of lithium-manganese-fluorine complexes.
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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