Rb5FeO4
This compound is a complex oxide containing rubidium and iron. It is primarily studied in academic research settings to understand the structural chemistry and magnetic properties of alkali metal ferrates.
Overview
Key Properties
Cross-validated computational properties for Rb5FeO4, 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.
0.95–1.87 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.
11
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb5FeO4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.87 | 0.0000 | -4.790 | 3.88 |
| P21/c (No. 14) | monoclinic | 1.43 | 0.0002 | -4.790 | 4.10 |
| Pmn21 (No. 31) | orthorhombic | 0.96 | 0.0327 | -4.757 | 3.93 |
| P21/c (No. 14) | monoclinic | 1.25 | 0.0478 | -4.742 | 3.73 |
| Pmmn (No. 59) | orthorhombic | 0.95 | 0.0524 | -4.738 | 3.82 |
| Pbca (No. 61) | orthorhombic | 1.82 | 0.0528 | -4.737 | 3.78 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 3.93 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.15 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.12 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
Uses
Applications
Where Rb5FeO4 is used.
Solid-state chemistry researchMaterials science studiesInvestigation of magnetic properties in complex oxides
Reference
Frequently Asked Questions
Common questions about Rb5FeO4, answered from cross-validated data.
What is Rb5FeO4?
This compound is a complex oxide containing rubidium and iron. It is primarily studied in academic research settings to understand the structural chemistry and magnetic properties of alkali metal ferrates.
More questions
What is Rb5FeO4 used for?
Rb5FeO4 is used in solid-state chemistry research, materials science studies, and investigation of magnetic properties in complex oxides.
What is the band gap of Rb5FeO4?
Rb5FeO4 has a DFT-computed band gap of 0.95–1.87 eV across 11 reported structures.
Is Rb5FeO4 a metal, semiconductor, or insulator?
With a band gap up to 1.87 eV it is a semiconductor.
Is Rb5FeO4 thermodynamically stable?
Yes — Rb5FeO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb5FeO4?
The lowest-energy reported polymorph of Rb5FeO4 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of Rb5FeO4?
The computed density of the ground-state structure of Rb5FeO4 is 3.88 g/cm³.
How many polymorphs of Rb5FeO4 are known?
11 structures of Rb5FeO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Rb5FeO4 contain?
Rb5FeO4 contains Fe, O, and Rb (3 elements).
Where does the data for Rb5FeO4 come from?
Rb5FeO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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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