Rb3MnF7
Rb3MnF7 is a semiconducting ternary fluoride compound that is considered a likely candidate for laboratory synthesis.
About Rb3MnF7
Rb3MnF7 is a complex fluoride material characterized by its semiconducting electronic structure. Its position near the thermodynamic stability hull suggests that it is a viable target for experimental synthesis and structural characterization.
Given its status as a data-rich material with multiple reported structural variations, this compound serves as an important subject for studying transition metal fluoride chemistry. Its unique arrangement of rubidium, manganese, and fluorine atoms offers insights into the electronic behavior of complex halide systems.
Key Properties
Cross-validated computational properties for Rb3MnF7, 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 Rb3MnF7, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 1.66 | 0.0070 | -5.208 | 3.97 |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.88 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.64 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.78 |
Applications
Where Rb3MnF7 is used.
Frequently Asked Questions
Common questions about Rb3MnF7, answered from cross-validated data.
What is Rb3MnF7?
Rb3MnF7 is a semiconducting ternary fluoride compound that is considered a likely candidate for laboratory synthesis.
What is Rb3MnF7 used for?
What is the band gap of Rb3MnF7?
Is Rb3MnF7 a metal, semiconductor, or insulator?
Is Rb3MnF7 thermodynamically stable?
What is the crystal structure of Rb3MnF7?
What is the density of Rb3MnF7?
How many polymorphs of Rb3MnF7 are known?
What elements does Rb3MnF7 contain?
Where does the data for Rb3MnF7 come from?
How It Compares
As a distinct fluoride compound, Rb3MnF7 occupies a specialized niche within the broader family of rubidium-based transition metal halides. It serves as a representative example of how ternary fluoride phases can maintain structural integrity while exhibiting semiconducting properties.
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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