RbFeF4
Rubidium iron tetrafluoride is an inorganic crystalline compound characterized by its layered structural arrangement. It is primarily utilized in academic research to study magnetic properties and low-dimensional phase transitions in solid-state physics.
FFeRb
Overview
Key Properties
Cross-validated computational properties for RbFeF4, 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.
1.29–2.89 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.
20
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RbFeF4, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 2.50 | 0.0000 | -5.676 | 3.97 |
| P4/nmm (No. 129) | tetragonal | 1.29 | 0.0050 | -5.671 | 3.95 |
| P21212 (No. 18) | orthorhombic | 2.89 | 0.0078 | -5.668 | 3.72 |
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0105 | -5.665 | 3.92 |
| P4/mmm (No. 123) | tetragonal | 2.69 | 0.0252 | -5.651 | 3.73 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.72 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.93 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.86 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.72 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.66 |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.52 |
Uses
Applications
Where RbFeF4 is used.
Magnetic materials researchSolid-state physics studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about RbFeF4, answered from cross-validated data.
What is RbFeF4?
Rubidium iron tetrafluoride is an inorganic crystalline compound characterized by its layered structural arrangement. It is primarily utilized in academic research to study magnetic properties and low-dimensional phase transitions in solid-state physics.
More questions
What is RbFeF4 used for?
RbFeF4 is used in magnetic materials research, solid-state physics studies, and crystallographic analysis.
What is the band gap of RbFeF4?
RbFeF4 has a DFT-computed band gap of 1.29–2.89 eV across 20 reported structures.
Is RbFeF4 a metal, semiconductor, or insulator?
With a band gap up to 2.89 eV it is a semiconductor.
Is RbFeF4 thermodynamically stable?
Yes — RbFeF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbFeF4?
The lowest-energy reported polymorph of RbFeF4 is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of RbFeF4?
The computed density of the ground-state structure of RbFeF4 is 3.97 g/cm³.
How many polymorphs of RbFeF4 are known?
20 structures of RbFeF4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does RbFeF4 contain?
RbFeF4 contains F, Fe, and Rb (3 elements).
Where does the data for RbFeF4 come from?
RbFeF4 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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