EuMgH4
EuMgH4 is a thermodynamically stable, semiconducting complex hydride utilized in the field of hydrogen storage materials.
About EuMgH4
EuMgH4 is a complex hydride that functions as a semiconducting material. Its position on the thermodynamic convex hull highlights its inherent stability, making it a significant candidate for solid-state hydrogen storage applications.
The compound is part of a specialized group of hydrides designed to manage hydrogen density and release kinetics. Its structural complexity and electronic properties allow it to be studied alongside other metal hydrides to improve the efficiency of hydrogen-based energy systems.
Key Properties
Cross-validated computational properties for EuMgH4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of EuMgH4. 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 EuMgH4, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.17 | 0.0000 | -4.745 | 4.24 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0000 | -0.426 | — |
| — | — | 2.24 | 0.0101 | -0.436 | — |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.26 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.22 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.27 |
Applications
Where EuMgH4 is used.
Frequently Asked Questions
Common questions about EuMgH4, answered from cross-validated data.
What is EuMgH4?
EuMgH4 is a thermodynamically stable, semiconducting complex hydride utilized in the field of hydrogen storage materials.
What is EuMgH4 used for?
What is the band gap of EuMgH4?
Is EuMgH4 a metal, semiconductor, or insulator?
Is EuMgH4 thermodynamically stable?
What is the crystal structure of EuMgH4?
What is the density of EuMgH4?
How many polymorphs of EuMgH4 are known?
What elements does EuMgH4 contain?
Where does the data for EuMgH4 come from?
How It Compares
Within the hydrogen storage hydrides class.
Unlike simple binary hydrides such as LiH or MgH2, EuMgH4 incorporates a rare-earth element to modify its structural and electronic landscape. While simple hydrides like CaH2 are often used for their fundamental hydrogen-carrying capacity, EuMgH4 offers a more intricate lattice that influences its stability and potential for tailored hydrogen desorption compared to lighter, more common counterparts.
Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (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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