RbMnF3
RbMnF3 is a thermodynamically stable semiconducting fluoride compound characterized by its well-defined structural properties.
About RbMnF3
RbMnF3 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating robust structural integrity. As a semiconducting fluoride, it represents a specialized material system of interest for fundamental solid-state research and potential electronic applications.
Its stability and electronic character make it a significant subject for structural analysis, with multiple documented configurations available across databases. This compound serves as a key example of how manganese-based fluorides can be synthesized into stable, well-defined crystalline forms.
Key Properties
Cross-validated computational properties for RbMnF3, 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 RbMnF3. 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 RbMnF3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 2.94 | 0.0000 | -6.190 | 4.32 |
| — | — | 1.62 | 0.0000 | -2.815 | — |
| Pm-3m (No. 221) | cubic | 1.60 | 0.0000 | -2.726 | — |
| — | — | 1.64 | 0.0014 | -2.813 | — |
| Pm-3m (No. 221) | cubic | 1.64 | 0.0125 | -2.714 | — |
| Pm-3m (No. 221) | cubic | 1.64 | 0.0125 | -2.714 | — |
| — | — | 1.58 | 0.0186 | -2.796 | — |
| — | — | 1.48 | 0.0218 | -2.793 | — |
| — | — | 1.53 | 0.0277 | -2.787 | — |
| — | — | 1.44 | 0.0278 | -2.787 | — |
| — | — | 1.32 | 0.0346 | -2.780 | — |
| — | — | 1.41 | 0.0547 | -2.760 | — |
Applications
Where RbMnF3 is used.
Frequently Asked Questions
Common questions about RbMnF3, answered from cross-validated data.
What is RbMnF3?
RbMnF3 is a thermodynamically stable semiconducting fluoride compound characterized by its well-defined structural properties.
What is RbMnF3 used for?
What is the band gap of RbMnF3?
Is RbMnF3 a metal, semiconductor, or insulator?
Is RbMnF3 thermodynamically stable?
What is the crystal structure of RbMnF3?
What is the density of RbMnF3?
How many polymorphs of RbMnF3 are known?
What elements does RbMnF3 contain?
Where does the data for RbMnF3 come from?
How It Compares
As a distinct member of the manganese-based fluoride family, RbMnF3 occupies a unique structural niche. While it does not share its immediate class with other listed compounds, it stands out for its thermodynamic stability and consistent semiconducting behavior, which are essential traits for materials intended for reliable electronic or optical deployment.
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.
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