RbF3
Rubidium trifluoride is a rare inorganic chemical compound composed of rubidium and fluorine. It is primarily utilized in specialized chemical research and laboratory synthesis settings.
FRb
Overview
Key Properties
Cross-validated computational properties for RbF3, 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.
1.03–2.17 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
65
3 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RbF3, 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 (No. 4) | monoclinic | 2.12 | 0.0000 | -3.494 | 3.06 |
| P212121 (No. 19) | orthorhombic | 2.17 | 0.0026 | -3.492 | 3.31 |
| Cmcm (No. 63) | orthorhombic | 1.03 | 0.1450 | -3.349 | 2.80 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3456 | -3.149 | 3.30 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.3577 | -3.137 | 3.29 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.20 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.98 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 4.01 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 3.50 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.18 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.91 |
Uses
Applications
Where RbF3 is used.
Chemical researchLaboratory synthesis
Reference
Frequently Asked Questions
Common questions about RbF3, answered from cross-validated data.
What is RbF3?
Rubidium trifluoride is a rare inorganic chemical compound composed of rubidium and fluorine. It is primarily utilized in specialized chemical research and laboratory synthesis settings.
More questions
What is RbF3 used for?
RbF3 is used in chemical research and laboratory synthesis.
What is the band gap of RbF3?
RbF3 has a DFT-computed band gap of 1.03–2.17 eV across 65 reported structures.
Is RbF3 a metal, semiconductor, or insulator?
With a band gap up to 2.17 eV it is a semiconductor.
Is RbF3 thermodynamically stable?
Yes — RbF3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbF3?
The lowest-energy reported polymorph of RbF3 is monoclinic symmetry, space group P21 (No. 4).
What is the density of RbF3?
The computed density of the ground-state structure of RbF3 is 3.06 g/cm³.
How many polymorphs of RbF3 are known?
65 structures of RbF3 are reported across 3 databases, spanning 13 distinct space groups.
What elements does RbF3 contain?
RbF3 contains F and Rb (2 elements).
Where does the data for RbF3 come from?
RbF3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze RbF3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →