RbErO2
RbErO2 is a stable, wide-band-gap insulating oxide containing rubidium and erbium.
About RbErO2
RbErO2 is a crystalline oxide compound composed of rubidium, erbium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, characterized by its insulating electronic nature and wide-band-gap behavior.
This material is of interest to researchers investigating the interplay between rare-earth elements and alkali metals in complex oxides. Its stable structure makes it a candidate for fundamental studies into electronic and optical properties relevant to specialized solid-state applications.
Key Properties
Cross-validated computational properties for RbErO2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RbErO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for RbErO2, 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. |
|---|---|---|---|---|---|
| — | — | 3.86 | 0.0000 | -2.942 | — |
| R-3m (No. 166) | trigonal | 3.71 | 0.0000 | -3.003 | — |
| R-3m (No. 166) | trigonal | 3.64 | 0.0000 | -6.931 | 7.13 |
| — | — | 4.08 | 0.0048 | -2.938 | — |
| R-3m (No. 166) | trigonal | — | — | — | 7.09 |
| R-3m (No. 166) | trigonal | — | — | — | 6.91 |
| R-3m (No. 166) | trigonal | — | — | — | 7.04 |
| R-3m (No. 166) | trigonal | — | — | — | 7.13 |
Applications
Where RbErO2 is used.
Frequently Asked Questions
Common questions about RbErO2, answered from cross-validated data.
What is RbErO2?
RbErO2 is a stable, wide-band-gap insulating oxide containing rubidium and erbium.
What is RbErO2 used for?
What is the band gap of RbErO2?
Is RbErO2 a metal, semiconductor, or insulator?
Is RbErO2 thermodynamically stable?
What is the crystal structure of RbErO2?
How many polymorphs of RbErO2 are known?
What elements does RbErO2 contain?
Where does the data for RbErO2 come from?
How It Compares
As a thermodynamically stable oxide, RbErO2 serves as a foundational reference point for exploring the structural landscape of rubidium-erbium-oxygen systems. Without direct structural siblings in its immediate class, it stands as a distinct example of how these elements combine to form a stable, insulating lattice.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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