Eu2MgH6
Eu2MgH6 is a semiconducting ternary hydride material investigated for its potential in solid-state hydrogen storage applications.
About Eu2MgH6
Eu2MgH6 is a complex ternary hydride that functions as a semiconducting material. Its unique electronic structure and chemical composition make it a subject of interest for researchers investigating advanced solid-state hydrogen storage solutions.
As a metastable phase, this compound offers a distinct pathway for hydrogen release and uptake. Its structural characteristics are defined by the interplay between the rare-earth europium and magnesium, positioning it as a specialized candidate within the broader landscape of complex hydrides.
Key Properties
Cross-validated computational properties for Eu2MgH6, 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 Eu2MgH6, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.34 | 0.0343 | -5.251 | 4.74 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.74 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.09 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.38 |
Applications
Where Eu2MgH6 is used.
Frequently Asked Questions
Common questions about Eu2MgH6, answered from cross-validated data.
What is Eu2MgH6?
Eu2MgH6 is a semiconducting ternary hydride material investigated for its potential in solid-state hydrogen storage applications.
What is Eu2MgH6 used for?
What is the band gap of Eu2MgH6?
Is Eu2MgH6 a metal, semiconductor, or insulator?
Is Eu2MgH6 thermodynamically stable?
What is the crystal structure of Eu2MgH6?
What is the density of Eu2MgH6?
How many polymorphs of Eu2MgH6 are known?
What elements does Eu2MgH6 contain?
Where does the data for Eu2MgH6 come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the class of hydrogen storage hydrides, Eu2MgH6 occupies a more specialized niche compared to simpler, more widely utilized systems like MgH2 or LiH. While binary hydrides such as MgH2 are frequently studied for their high gravimetric capacity, Eu2MgH6 represents a more complex structural arrangement that highlights the diversity of ternary hydride phases currently being explored for tailored thermodynamic properties.
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.
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