Rb2MnF6
Rb2MnF6 is a stable, wide-gap insulating fluoride compound used primarily in structural and chemical research.
About Rb2MnF6
Rb2MnF6 is a thermodynamically stable inorganic fluoride that sits firmly on the convex hull, indicating robust structural integrity. Its electronic character is defined by a wide band gap, classifying it as a reliable insulating material suitable for specialized chemical environments.
Due to its well-defined structural profile, this compound is a subject of significant interest in materials science research. It serves as a model system for understanding the coordination chemistry of manganese within fluoride frameworks, supported by extensive data across multiple structural databases.
Key Properties
Cross-validated computational properties for Rb2MnF6, 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 Rb2MnF6. 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 Rb2MnF6, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 3.23 | 0.0000 | -5.414 | 3.93 |
| — | — | 2.51 | 0.0000 | -2.923 | — |
| Fm-3m (No. 225) | cubic | 2.48 | 0.0000 | -2.846 | — |
| Fm-3m (No. 225) | cubic | 3.38 | 0.0014 | -5.413 | 3.79 |
| — | — | 2.49 | 0.0017 | -2.921 | — |
| — | — | 2.63 | 0.0046 | -2.918 | — |
| — | — | 2.61 | 0.0049 | -2.918 | — |
| — | — | 2.51 | 0.0119 | -2.911 | — |
| — | — | 2.65 | 0.0444 | -2.878 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1972 | -2.649 | — |
| P63mc (No. 186) | hexagonal | — | — | — | 3.71 |
| Fm-3m (No. 225) | cubic | — | — | — | 3.54 |
Applications
Where Rb2MnF6 is used.
Frequently Asked Questions
Common questions about Rb2MnF6, answered from cross-validated data.
What is Rb2MnF6?
Rb2MnF6 is a stable, wide-gap insulating fluoride compound used primarily in structural and chemical research.
What is Rb2MnF6 used for?
What is the band gap of Rb2MnF6?
Is Rb2MnF6 a metal, semiconductor, or insulator?
Is Rb2MnF6 thermodynamically stable?
What is the crystal structure of Rb2MnF6?
How many polymorphs of Rb2MnF6 are known?
What elements does Rb2MnF6 contain?
Where does the data for Rb2MnF6 come from?
How It Compares
As a distinct inorganic fluoride, Rb2MnF6 represents a stable structural archetype within its chemical family. It serves as a foundational reference point for studying manganese-based halide compounds, providing clear insights into the electronic and structural behavior of insulating 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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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