MgTi3H8
MgTi3H8 is a semiconducting ternary metal hydride being researched for its potential as an efficient hydrogen storage material.
About MgTi3H8
MgTi3H8 is a complex metal hydride that functions as a semiconducting material within the hydrogen storage class. Its electronic structure and near-hull thermodynamic stability suggest it is a viable candidate for experimental synthesis and further investigation in hydrogen-based energy storage technologies.
Because of its unique composition, this compound is of significant interest to researchers aiming to optimize reversible hydrogen uptake and release. It represents a specialized niche in hydride chemistry, balancing structural complexity with the potential for efficient hydrogen density management.
Key Properties
Cross-validated computational properties for MgTi3H8, 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.
Applications
Where MgTi3H8 is used.
Frequently Asked Questions
Common questions about MgTi3H8, answered from cross-validated data.
What is MgTi3H8?
MgTi3H8 is a semiconducting ternary metal hydride being researched for its potential as an efficient hydrogen storage material.
What is MgTi3H8 used for?
What is the band gap of MgTi3H8?
Is MgTi3H8 a metal, semiconductor, or insulator?
Is MgTi3H8 thermodynamically stable?
How many polymorphs of MgTi3H8 are known?
What elements does MgTi3H8 contain?
Where does the data for MgTi3H8 come from?
How It Compares
Within the hydrogen storage hydrides class.
Unlike simpler, highly ionic hydrides such as LiH or MgH2, which are well-established benchmarks in the field, MgTi3H8 offers a more intricate lattice arrangement. While traditional binary hydrides like CaH2 are often utilized for their robust stability, this ternary magnesium-titanium system provides a distinct electronic profile that may offer different kinetic advantages for hydrogen storage applications.
Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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