H8N4Na4
H8N4Na4 is a thermodynamically stable, semiconducting complex hydride utilized in the study of solid-state hydrogen storage materials.
About H8N4Na4
H8N4Na4 is a semiconducting complex hydride that sits on the thermodynamic convex hull, indicating significant structural stability. As a member of the hydrogen storage hydride class, it represents a specialized chemical arrangement designed to facilitate efficient hydrogen release and uptake cycles.
Its unique electronic character and stable configuration make it a subject of interest for researchers investigating solid-state materials for energy storage. By leveraging its specific chemical composition, this compound contributes to the broader effort of developing dense, reversible hydrogen carriers for future fuel technologies.
Key Properties
Cross-validated computational properties for H8N4Na4, 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 H8N4Na4, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.95 | 0.0000 | -5.332 | 1.45 |
| Fddd (No. 70) | — | — | — | — | — |
| Fddd (No. 70) | — | — | — | — | — |
| — | — | — | — | — | 1.20 |
| — | — | — | — | — | 1.05 |
| — | — | — | — | — | 1.19 |
| — | — | — | — | — | 1.69 |
| — | — | — | — | — | 1.15 |
| — | — | — | — | — | 1.93 |
| — | — | — | — | — | 1.07 |
| — | — | — | — | — | 2.02 |
Applications
Where H8N4Na4 is used.
Frequently Asked Questions
Common questions about H8N4Na4, answered from cross-validated data.
What is H8N4Na4?
H8N4Na4 is a thermodynamically stable, semiconducting complex hydride utilized in the study of solid-state hydrogen storage materials.
What is H8N4Na4 used for?
What is the band gap of H8N4Na4?
Is H8N4Na4 a metal, semiconductor, or insulator?
Is H8N4Na4 thermodynamically stable?
What is the crystal structure of H8N4Na4?
What is the density of H8N4Na4?
How many polymorphs of H8N4Na4 are known?
What elements does H8N4Na4 contain?
Where does the data for H8N4Na4 come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the diverse family of hydrogen storage hydrides, H8N4Na4 occupies a distinct niche compared to simpler binary hydrides like LiH or MgH2. While many common members of this class rely on elemental metal-hydrogen bonding, H8N4Na4 incorporates nitrogen into its framework, resulting in a more complex structural architecture that differentiates it from standard saline 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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