Li4O4Rb4
Li4O4Rb4 is a semiconducting lithium-rubidium oxide that serves as a subject of interest for structural and electronic materials research.
About Li4O4Rb4
Li4O4Rb4 is a complex lithium oxide featuring rubidium as a structural component. As a semiconducting material, it represents a specialized niche within the lithium-based oxide family, characterized by its near-hull thermodynamic stability which suggests it is a viable candidate for experimental synthesis and characterization. The compound is of significant interest to materials researchers investigating the interplay between alkali metals and oxygen frameworks. Its existence across multiple databases underscores its role as a subject of computational study in the search for novel electronic and ionic conductors.
Key Properties
Cross-validated computational properties for Li4O4Rb4, 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.
Reported Structures
Lowest-energy structures reported for Li4O4Rb4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.25 | 0.0013 | -4.209 | 3.55 |
| — | — | — | — | — | 3.36 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.02 |
Applications
Where Li4O4Rb4 is used.
Frequently Asked Questions
Common questions about Li4O4Rb4, answered from cross-validated data.
What is Li4O4Rb4?
Li4O4Rb4 is a semiconducting lithium-rubidium oxide that serves as a subject of interest for structural and electronic materials research.
What is Li4O4Rb4 used for?
What is the band gap of Li4O4Rb4?
Is Li4O4Rb4 a metal, semiconductor, or insulator?
Is Li4O4Rb4 thermodynamically stable?
What is the crystal structure of Li4O4Rb4?
What is the density of Li4O4Rb4?
How many polymorphs of Li4O4Rb4 are known?
What elements does Li4O4Rb4 contain?
Where does the data for Li4O4Rb4 come from?
How It Compares
Within the lithium oxides class.
While common lithium oxides like LiCoO2 and LiMn2O4 are widely utilized in commercial energy storage due to their well-understood electrochemical properties, Li4O4Rb4 occupies a more exotic position in the class. Unlike the robust, transition-metal-heavy structures of LiNiO2 or the simple binary Li2O, this compound incorporates rubidium to create a distinct structural environment that deviates from standard battery cathode materials.
Related Compounds
Other Lithium Oxides 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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