MgMnF6
MgMnF6 is a stable, semiconducting fluoride compound characterized by its reliable structural integrity.
About MgMnF6
MgMnF6 is a complex fluoride compound that sits firmly on the thermodynamic convex hull, indicating high structural stability. Its semiconducting electronic character makes it an intriguing subject for research into specialized inorganic materials where electronic control is required.
Because it is a well-documented material with multiple reported structures across major databases, it serves as a reliable reference point for studying manganese-magnesium fluoride systems. Its stability suggests potential utility in applications requiring robust, chemically inert frameworks.
Key Properties
Cross-validated computational properties for MgMnF6, 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 MgMnF6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 2.80 | 0.0000 | -5.798 | 3.47 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 3.06 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.29 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.18 |
Applications
Where MgMnF6 is used.
Frequently Asked Questions
Common questions about MgMnF6, answered from cross-validated data.
What is MgMnF6?
MgMnF6 is a stable, semiconducting fluoride compound characterized by its reliable structural integrity.
What is MgMnF6 used for?
What is the band gap of MgMnF6?
Is MgMnF6 a metal, semiconductor, or insulator?
Is MgMnF6 thermodynamically stable?
What is the crystal structure of MgMnF6?
What is the density of MgMnF6?
How many polymorphs of MgMnF6 are known?
What elements does MgMnF6 contain?
Where does the data for MgMnF6 come from?
How It Compares
As a distinct fluoride compound, MgMnF6 represents a stable configuration within its chemical family. While it stands as a unique entry in this context, its position on the convex hull distinguishes it as a highly favorable phase compared to less stable, metastable fluoride alternatives.
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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