RbMgH3
RbMgH3 is a stable, semiconducting ternary hydride used in the study and development of solid-state hydrogen storage technologies.
About RbMgH3
RbMgH3 is a semiconducting ternary hydride that maintains high thermodynamic stability as a member of the hydrogen storage materials class. Its structural integrity on the convex hull makes it a significant subject for researchers investigating reversible hydrogen uptake and release mechanisms in complex metal hydrides.
This compound is primarily studied for its potential in advanced energy storage applications. By leveraging its specific electronic character and stable lattice framework, scientists aim to optimize the kinetics of hydrogen desorption, which is critical for the development of efficient, solid-state hydrogen carriers.
Key Properties
Cross-validated computational properties for RbMgH3, 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.
Reported Structures
Lowest-energy structures reported for RbMgH3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 2.54 | 0.0000 | -2.885 | 2.62 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.57 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.59 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.61 |
Applications
Where RbMgH3 is used.
Frequently Asked Questions
Common questions about RbMgH3, answered from cross-validated data.
What is RbMgH3?
RbMgH3 is a stable, semiconducting ternary hydride used in the study and development of solid-state hydrogen storage technologies.
What is RbMgH3 used for?
What is the band gap of RbMgH3?
Is RbMgH3 a metal, semiconductor, or insulator?
Is RbMgH3 thermodynamically stable?
What is the crystal structure of RbMgH3?
What is the density of RbMgH3?
How many polymorphs of RbMgH3 are known?
What elements does RbMgH3 contain?
Where does the data for RbMgH3 come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the diverse class of hydrogen storage hydrides, RbMgH3 occupies a distinct niche compared to simpler binary systems like LiH or MgH2. While binary hydrides are often the baseline for hydrogen density, RbMgH3 offers a more complex structural environment that can influence the thermodynamic pathways of hydrogen release, providing a different performance profile than the lightweight AlH3 or the alkaline earth-based CaH2.
Related Compounds
Other Hydrogen Storage Hydrides in the database.
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.
Analyze RbMgH3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →