MnZnF5
MnZnF5 is a metastable semiconducting fluoride compound containing manganese and zinc that is primarily utilized in fundamental materials science research.
About MnZnF5
MnZnF5 is a complex fluoride compound composed of manganese, zinc, and fluorine. As a semiconducting material, it exhibits electronic properties that are of significant interest for fundamental studies in solid-state chemistry and materials science. Its metastable nature suggests a unique structural landscape that requires careful synthesis and characterization techniques to maintain its phase integrity. The material is characterized by a notable structural diversity, as evidenced by the multiple reported configurations found in research databases. This complexity makes it a compelling subject for those investigating transition metal fluoride systems and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for MnZnF5, 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 MnZnF5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.04 | 0.0315 | -5.519 | 3.75 |
| P21/c (No. 14) | monoclinic | 1.36 | 0.0420 | -5.509 | 3.93 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.95 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.21 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.07 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.93 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.10 |
Applications
Where MnZnF5 is used.
Frequently Asked Questions
Common questions about MnZnF5, answered from cross-validated data.
What is MnZnF5?
MnZnF5 is a metastable semiconducting fluoride compound containing manganese and zinc that is primarily utilized in fundamental materials science research.
What is MnZnF5 used for?
What is the band gap of MnZnF5?
Is MnZnF5 a metal, semiconductor, or insulator?
Is MnZnF5 thermodynamically stable?
What is the crystal structure of MnZnF5?
What is the density of MnZnF5?
How many polymorphs of MnZnF5 are known?
What elements does MnZnF5 contain?
Where does the data for MnZnF5 come from?
How It Compares
As a unique fluoride phase, MnZnF5 represents a specialized entry in the broader landscape of transition metal-zinc fluoride materials. While many binary and ternary fluorides are thermodynamically stable, this compound occupies a metastable regime that offers distinct structural pathways for researchers exploring non-equilibrium material architectures.
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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