BO2Rb
BO2Rb is a thermodynamically stable, insulating rubidium borate compound used in materials science research.
About BO2Rb
BO2Rb is a stable inorganic compound composed of rubidium, boron, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it a subject of interest for fundamental materials research and solid-state chemistry.
Its position on the convex hull confirms its thermodynamic stability, suggesting a reliable structural framework. This stability is essential for its potential integration into specialized optical or electronic applications where insulating behavior is required.
Key Properties
Cross-validated computational properties for BO2Rb, 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 BO2Rb. 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 BO2Rb, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 3.93 | 0.0000 | -7.011 | 3.31 |
| — | — | — | — | — | 4.19 |
| No. 0 | unknown | — | — | — | 0.18 |
| — | — | — | — | — | 4.83 |
Applications
Where BO2Rb is used.
Frequently Asked Questions
Common questions about BO2Rb, answered from cross-validated data.
What is BO2Rb?
BO2Rb is a thermodynamically stable, insulating rubidium borate compound used in materials science research.
What is BO2Rb used for?
What is the band gap of BO2Rb?
Is BO2Rb a metal, semiconductor, or insulator?
Is BO2Rb thermodynamically stable?
What is the crystal structure of BO2Rb?
What is the density of BO2Rb?
How many polymorphs of BO2Rb are known?
What elements does BO2Rb contain?
Where does the data for BO2Rb come from?
How It Compares
As a distinct member of the borate family, BO2Rb represents a stable stoichiometric arrangement of alkali metal cations and borate anions. Without direct structural analogs in this specific grouping, it serves as a primary reference point for understanding how rubidium influences the insulating properties and lattice configuration of borate-based materials.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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