Al2O4Rb2
This compound is a rubidium aluminate ceramic material. It is primarily studied for its structural properties and potential roles in advanced materials science research.
Overview
Key Properties
Cross-validated computational properties for Al2O4Rb2, 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.
3.37 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.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Al2O4Rb2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 3.37 | 0.0000 | -6.517 | 3.72 |
| — | — | — | — | — | 4.29 |
| — | — | — | — | — | 4.29 |
| Fd-3m (No. 227) | — | — | — | — | — |
Uses
Applications
Where Al2O4Rb2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Al2O4Rb2, answered from cross-validated data.
What is Al2O4Rb2?
This compound is a rubidium aluminate ceramic material. It is primarily studied for its structural properties and potential roles in advanced materials science research.
More questions
What is Al2O4Rb2 used for?
Al2O4Rb2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Al2O4Rb2?
Al2O4Rb2 has a DFT-computed band gap of 3.37 eV across 4 reported structures.
Is Al2O4Rb2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.37 eV it is an insulator / wide-band-gap material.
Is Al2O4Rb2 thermodynamically stable?
Yes — Al2O4Rb2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2O4Rb2?
The lowest-energy reported polymorph of Al2O4Rb2 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Al2O4Rb2?
The computed density of the ground-state structure of Al2O4Rb2 is 3.72 g/cm³.
How many polymorphs of Al2O4Rb2 are known?
4 structures of Al2O4Rb2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al2O4Rb2 contain?
Al2O4Rb2 contains Al, O, and Rb (3 elements).
Where does the data for Al2O4Rb2 come from?
Al2O4Rb2 data is cross-referenced from materials_project, omat24, aflow.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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