Cs8H20Mg6
Cs8H20Mg6 is a thermodynamically stable ternary metal hydride used in the research and development of solid-state hydrogen storage materials.
About Cs8H20Mg6
Cs8H20Mg6 is a complex hydrogen storage hydride that occupies a stable position on the thermodynamic convex hull. As a wide-band-gap insulator, it represents a unique structural arrangement of cesium, magnesium, and hydrogen atoms designed for efficient chemical energy storage applications. Its existence across multiple crystallographic databases underscores its importance in the study of ternary metal hydrides. The compound serves as a specialized candidate for research into advanced solid-state hydrogen containment systems where structural stability and electronic insulation are key design parameters. By leveraging the interplay between alkali and alkaline earth metals, this material offers a distinct pathway for exploring high-density hydrogen carriers.
Key Properties
Cross-validated computational properties for Cs8H20Mg6, 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 Cs8H20Mg6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 3.48 | 0.0000 | -2.822 | 3.24 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where Cs8H20Mg6 is used.
Frequently Asked Questions
Common questions about Cs8H20Mg6, answered from cross-validated data.
What is Cs8H20Mg6?
Cs8H20Mg6 is a thermodynamically stable ternary metal hydride used in the research and development of solid-state hydrogen storage materials.
What is Cs8H20Mg6 used for?
What is the band gap of Cs8H20Mg6?
Is Cs8H20Mg6 a metal, semiconductor, or insulator?
Is Cs8H20Mg6 thermodynamically stable?
What is the crystal structure of Cs8H20Mg6?
What is the density of Cs8H20Mg6?
How many polymorphs of Cs8H20Mg6 are known?
What elements does Cs8H20Mg6 contain?
Where does the data for Cs8H20Mg6 come from?
How It Compares
Within the hydrogen storage hydrides class.
Unlike simpler binary hydrides such as MgH2 or LiH, which are widely utilized for their high gravimetric hydrogen capacity, Cs8H20Mg6 represents a more complex ternary framework. While MgH2 is a staple in industrial hydrogen storage research, Cs8H20Mg6 provides a more nuanced electronic environment, functioning as a wide-gap insulator that contrasts with the more conventional metallic or semiconducting behaviors found in other members of the hydride class.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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