MnF2
manganese(II) fluoride · manganous fluoride
Manganese(II) fluoride is a stable, insulating inorganic salt frequently utilized in optical materials and chemical synthesis.
About manganese(II) fluoride
Manganese(II) fluoride is a stable inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull ensures robust thermodynamic stability, making it a reliable subject for structural studies and material synthesis. The compound is highly data-rich, with extensive structural characterization available across multiple databases. This wealth of information supports its utility in research environments where precise control over manganese-fluorine bonding is required.
Key Properties
Cross-validated computational properties for manganese(II) fluoride, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MnF2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MnF2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 2.36 | 0.0000 | -7.297 | 4.02 |
| P4/nbm (No. 125) | tetragonal | 1.92 | 0.0000 | -2.394 | — |
| P42/mnm (No. 136) | tetragonal | 2.54 | 0.0002 | -7.297 | 3.93 |
| — | — | 1.32 | 0.0036 | -2.629 | — |
| — | — | 1.23 | 0.0071 | -2.626 | — |
| — | — | 1.46 | 0.0095 | -2.623 | — |
| P4/nbm (No. 125) | tetragonal | 2.17 | 0.0122 | -2.382 | — |
| P4/nbm (No. 125) | tetragonal | 2.17 | 0.0122 | -2.382 | — |
| — | — | 1.12 | 0.0123 | -2.621 | — |
| — | — | 2.24 | 0.0145 | -2.618 | — |
| P-43m (No. 215) | cubic | 3.09 | 0.0204 | -7.276 | 4.48 |
| — | — | 1.85 | 0.0282 | -2.605 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnF2.
Applications
Where manganese(II) fluoride is used.
Frequently Asked Questions
Common questions about manganese(II) fluoride, answered from cross-validated data.
What is MnF2?
Manganese(II) fluoride is a stable, insulating inorganic salt frequently utilized in optical materials and chemical synthesis.
What is MnF2 used for?
What is the band gap of MnF2?
Is MnF2 a metal, semiconductor, or insulator?
Is MnF2 thermodynamically stable?
What is the crystal structure of MnF2?
What is the density of MnF2?
How many polymorphs of MnF2 are known?
How is MnF2 synthesized?
What elements does MnF2 contain?
Where does the data for MnF2 come from?
How It Compares
As a standalone representative of its chemical class, manganese(II) fluoride serves as a fundamental reference point for understanding the structural and electronic behavior of binary transition metal fluorides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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