Al2H8Na2
Al2H8Na2 is a thermodynamically stable complex metal hydride used in the study of hydrogen storage materials.
About Al2H8Na2
Al2H8Na2 is a complex hydride belonging to the hydrogen storage materials class. Characterized by its wide-band-gap insulating electronic structure, this compound represents a stable phase that sits on the convex hull, indicating significant thermodynamic favorability.
Its importance lies in its potential role within hydrogen-based energy systems, where complex hydrides are sought for their ability to store hydrogen at high densities. With multiple reported structures across various databases, it is a subject of ongoing research into the fundamental behavior of metal-hydrogen frameworks.
Key Properties
Cross-validated computational properties for Al2H8Na2, 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 Al2H8Na2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 4.67 | 0.0000 | -4.232 | 1.34 |
| Cmc21 (No. 36) | orthorhombic | 1.87 | 0.0221 | -4.210 | 1.48 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
Applications
Where Al2H8Na2 is used.
Frequently Asked Questions
Common questions about Al2H8Na2, answered from cross-validated data.
What is Al2H8Na2?
Al2H8Na2 is a thermodynamically stable complex metal hydride used in the study of hydrogen storage materials.
What is Al2H8Na2 used for?
What is the band gap of Al2H8Na2?
Is Al2H8Na2 a metal, semiconductor, or insulator?
Is Al2H8Na2 thermodynamically stable?
What is the crystal structure of Al2H8Na2?
What is the density of Al2H8Na2?
How many polymorphs of Al2H8Na2 are known?
What elements does Al2H8Na2 contain?
Where does the data for Al2H8Na2 come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the broader class of hydrogen storage hydrides, Al2H8Na2 stands out for its structural complexity compared to simpler binary hydrides like LiH or MgH2. While materials such as AlH3 are frequently studied for their high hydrogen content, Al2H8Na2 offers a distinct chemical environment that differentiates it from the more conventional alkaline earth or alkali metal hydrides like 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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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