RbMgBO3
RbMgBO3 is a stable, wide-gap insulating borate compound with multiple known structural forms.
About RbMgBO3
RbMgBO3 is a complex borate compound characterized by its insulating electronic nature and robust thermodynamic stability. As a member of the borate family, it maintains a structural framework that is highly resilient, placing it on the convex hull of stability.
This material is of significant interest to researchers investigating wide-gap insulators for specialized optical or dielectric applications. Its structural diversity, evidenced by multiple reported configurations, suggests a versatile material platform for future solid-state development.
Key Properties
Cross-validated computational properties for RbMgBO3, aggregated across 2 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 RbMgBO3. 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 RbMgBO3, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 4.68 | 0.0000 | -2.627 | — |
| P213 (No. 198) | cubic | 4.37 | 0.0000 | -6.783 | 3.23 |
| P213 (No. 198) | cubic | — | — | — | 3.29 |
| P213 (No. 198) | cubic | — | — | — | 3.36 |
| P213 (No. 198) | cubic | — | — | — | 3.23 |
Synthesis Routes
Literature-extracted synthesis procedures targeting RbMgBO3.
Applications
Where RbMgBO3 is used.
Frequently Asked Questions
Common questions about RbMgBO3, answered from cross-validated data.
What is RbMgBO3?
RbMgBO3 is a stable, wide-gap insulating borate compound with multiple known structural forms.
What is RbMgBO3 used for?
What is the band gap of RbMgBO3?
Is RbMgBO3 a metal, semiconductor, or insulator?
Is RbMgBO3 thermodynamically stable?
What is the crystal structure of RbMgBO3?
How many polymorphs of RbMgBO3 are known?
How is RbMgBO3 synthesized?
What elements does RbMgBO3 contain?
Where does the data for RbMgBO3 come from?
How It Compares
As a distinct borate, RbMgBO3 represents a stable structural archetype within its chemical class. It serves as a foundational example of how alkali and alkaline earth metals can be integrated into a borate framework to achieve thermodynamic stability and insulating behavior.
Data sources & attribution
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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