MgMnF5
MgMnF5 is a metastable, semiconducting fluoride compound primarily utilized in fundamental materials research.
About MgMnF5
MgMnF5 is a complex fluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a specialized structural arrangement that offers intriguing possibilities for solid-state chemistry and materials science investigations. Its existence across multiple databases underscores its importance as a subject of ongoing structural study. Researchers focus on this material to better understand the interplay between manganese and magnesium within a fluoride framework, which dictates its unique physical properties. By examining its metastable state, scientists can gain insights into the synthesis and stability of complex inorganic fluorides, potentially unlocking new pathways for functional material development.
Key Properties
Cross-validated computational properties for MgMnF5, 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 MgMnF5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.76 | 0.0301 | -6.095 | 3.14 |
| P21/c (No. 14) | monoclinic | 1.77 | 0.0348 | -6.090 | 3.23 |
| P-1 (No. 2) | triclinic | 0.07 | 2.0405 | -4.084 | 3.14 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.35 |
| P21/c (No. 14) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.26 |
Applications
Where MgMnF5 is used.
Frequently Asked Questions
Common questions about MgMnF5, answered from cross-validated data.
What is MgMnF5?
MgMnF5 is a metastable, semiconducting fluoride compound primarily utilized in fundamental materials research.
What is MgMnF5 used for?
What is the band gap of MgMnF5?
Is MgMnF5 a metal, semiconductor, or insulator?
Is MgMnF5 thermodynamically stable?
What is the crystal structure of MgMnF5?
What is the density of MgMnF5?
How many polymorphs of MgMnF5 are known?
What elements does MgMnF5 contain?
Where does the data for MgMnF5 come from?
How It Compares
As a specialized fluoride, MgMnF5 occupies a distinct niche in inorganic chemistry. While many related fluoride systems are highly stable, this compound is notable for its metastable nature, which makes it a compelling subject for researchers interested in phase control and the synthesis of materials that exist outside of standard thermodynamic equilibrium.
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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