RbMgBO3
Rubidium magnesium borate is a crystalline inorganic compound belonging to the borate family. It is primarily studied for its potential utility in nonlinear optical applications due to its structural properties.
BMgORb
Overview
Key Properties
Cross-validated computational properties for RbMgBO3, 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.
4.37 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
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 | 4.37 | 0.0000 | -6.783 | 3.23 |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | Cubic | — | — | — | 3.23 |
| P213 (No. 198) | Cubic | — | — | — | 3.36 |
| P213 (No. 198) | Cubic | — | — | — | 3.29 |
Uses
Applications
Where RbMgBO3 is used.
Nonlinear optical materials researchSolid-state laser technology development
Reference
Frequently Asked Questions
Common questions about RbMgBO3, answered from cross-validated data.
What is RbMgBO3?
Rubidium magnesium borate is a crystalline inorganic compound belonging to the borate family. It is primarily studied for its potential utility in nonlinear optical applications due to its structural properties.
More questions
What is RbMgBO3 used for?
RbMgBO3 is used in nonlinear optical materials research and solid-state laser technology development.
What is the band gap of RbMgBO3?
RbMgBO3 has a DFT-computed band gap of 4.37 eV across 5 reported structures.
Is RbMgBO3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.37 eV it is an insulator / wide-band-gap material.
Is RbMgBO3 thermodynamically stable?
Yes — RbMgBO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbMgBO3?
The lowest-energy reported polymorph of RbMgBO3 is cubic symmetry, space group P213 (No. 198).
What is the density of RbMgBO3?
The computed density of the ground-state structure of RbMgBO3 is 3.23 g/cm³.
How many polymorphs of RbMgBO3 are known?
5 structures of RbMgBO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does RbMgBO3 contain?
RbMgBO3 contains B, Mg, O, and Rb (4 elements).
Where does the data for RbMgBO3 come from?
RbMgBO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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