RbMnF4
RbMnF4 is a stable, semiconducting ternary fluoride compound characterized by a robust structural framework.
About RbMnF4
RbMnF4 is a ternary fluoride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system, making it a reliable subject for fundamental materials characterization.
Its structural diversity is evidenced by multiple reported configurations across various databases. This stability and electronic profile suggest potential utility in specialized solid-state applications where precise control over electronic and magnetic properties is required.
Key Properties
Cross-validated computational properties for RbMnF4, 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 RbMnF4. 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 RbMnF4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.33 | 0.0000 | -5.913 | 3.95 |
| P21/c (No. 14) | monoclinic | 0.99 | 0.0000 | -2.796 | — |
| — | — | 0.79 | 0.0000 | -2.895 | — |
| — | — | 0.81 | 0.0292 | -2.866 | — |
| — | — | 0.00 | 0.0364 | -2.859 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.91 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.81 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.65 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.91 |
Applications
Where RbMnF4 is used.
Frequently Asked Questions
Common questions about RbMnF4, answered from cross-validated data.
What is RbMnF4?
RbMnF4 is a stable, semiconducting ternary fluoride compound characterized by a robust structural framework.
What is RbMnF4 used for?
What is the band gap of RbMnF4?
Is RbMnF4 a metal, semiconductor, or insulator?
Is RbMnF4 thermodynamically stable?
What is the crystal structure of RbMnF4?
What is the density of RbMnF4?
How many polymorphs of RbMnF4 are known?
What elements does RbMnF4 contain?
Where does the data for RbMnF4 come from?
How It Compares
As a distinct fluoride phase, RbMnF4 serves as a foundational example of stable ternary manganese-based systems. While it lacks direct structural siblings in this context, its position on the convex hull highlights its significance as a benchmark material for understanding the interplay between transition metal centers and halide frameworks.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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