RbHoO2
RbHoO2 is a stable, insulating ternary oxide composed of rubidium, holmium, and oxygen.
About RbHoO2
RbHoO2 is a complex oxide featuring holmium and rubidium. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it a subject of interest for fundamental materials research. Its position on the convex hull confirms that it is a thermodynamically stable phase under standard conditions.
With multiple reported structural configurations, this compound represents a versatile building block in solid-state chemistry. Its stability and insulating nature suggest potential utility in specialized dielectric applications or as a precursor in the synthesis of more complex functional oxides.
Key Properties
Cross-validated computational properties for RbHoO2, 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 RbHoO2. 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 RbHoO2, 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. |
|---|---|---|---|---|---|
| — | — | 3.92 | 0.0000 | -2.928 | — |
| R-3m (No. 166) | trigonal | 3.68 | 0.0000 | -2.986 | — |
| R-3m (No. 166) | trigonal | 3.62 | 0.0000 | -6.921 | 6.97 |
| — | — | 3.85 | 0.0022 | -2.926 | — |
| R-3m (No. 166) | trigonal | — | — | — | 6.99 |
| R-3m (No. 166) | trigonal | — | — | — | 6.91 |
| R-3m (No. 166) | trigonal | — | — | — | 6.77 |
| R-3m (No. 166) | trigonal | — | — | — | 7.04 |
Applications
Where RbHoO2 is used.
Frequently Asked Questions
Common questions about RbHoO2, answered from cross-validated data.
What is RbHoO2?
RbHoO2 is a stable, insulating ternary oxide composed of rubidium, holmium, and oxygen.
What is RbHoO2 used for?
What is the band gap of RbHoO2?
Is RbHoO2 a metal, semiconductor, or insulator?
Is RbHoO2 thermodynamically stable?
What is the crystal structure of RbHoO2?
How many polymorphs of RbHoO2 are known?
What elements does RbHoO2 contain?
Where does the data for RbHoO2 come from?
How It Compares
As a stable, insulating oxide, RbHoO2 serves as a foundational example of rare-earth rubidium-based compounds. While it currently stands as a distinct entry in this chemical space, it provides a benchmark for understanding the structural diversity and stability trends within similar ternary oxide systems.
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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