LiH2N
lithium amide · lithium azanide
Lithium amide is a stable, insulating hydrogen-bearing compound used primarily as a medium for chemical hydrogen storage.
About lithium amide
Lithium amide is a thermodynamically stable compound within the class of hydrogen storage hydrides. As a wide-band-gap insulator, it plays a significant role in the development of materials designed for reversible hydrogen uptake and release, which is essential for advancing clean energy storage technologies.
Its structural diversity is evidenced by numerous reported configurations, making it a highly studied subject in materials science. Researchers focus on this compound for its potential to facilitate high-capacity hydrogen cycling, positioning it as a fundamental building block for future chemical storage media.
Key Properties
Cross-validated computational properties for lithium amide, 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 LiH2N, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 3.14 | 0.0000 | -4.850 | 1.23 |
| Fddd (No. 70) | orthorhombic | 3.55 | 0.0044 | -4.845 | 1.20 |
| P-421m (No. 113) | tetragonal | 0.00 | 0.0323 | -4.818 | 1.27 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0367 | -4.813 | 1.29 |
| P42/ncm (No. 138) | tetragonal | 3.43 | 0.0409 | -4.809 | 1.31 |
| P212121 (No. 19) | orthorhombic | 2.89 | 0.0554 | -4.795 | 1.23 |
| Pna21 (No. 33) | orthorhombic | 2.91 | 0.0837 | -4.766 | 1.18 |
| Cc (No. 9) | monoclinic | 2.78 | 0.0957 | -4.754 | 1.12 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.2287 | -4.621 | 1.52 |
| Pbcm (No. 57) | orthorhombic | 3.91 | 0.2788 | -4.571 | 1.60 |
| I-4 (No. 82) | Tetragonal | — | — | — | 1.13 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 1.21 |
Applications
Where lithium amide is used.
Frequently Asked Questions
Common questions about lithium amide, answered from cross-validated data.
What is LiH2N?
Lithium amide is a stable, insulating hydrogen-bearing compound used primarily as a medium for chemical hydrogen storage.
What is LiH2N used for?
What is the band gap of LiH2N?
Is LiH2N a metal, semiconductor, or insulator?
Is LiH2N thermodynamically stable?
What is the crystal structure of LiH2N?
What is the density of LiH2N?
How many polymorphs of LiH2N are known?
What elements does LiH2N contain?
Where does the data for LiH2N come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the family of hydrogen storage hydrides, lithium amide provides a distinct chemical pathway compared to binary hydrides like LiH or MgH2. While binary hydrides often rely on simple metal-hydrogen bonding, lithium amide utilizes the nitrogen-hydrogen interaction to modulate hydrogen release properties, offering a different thermodynamic profile than the simpler alkaline earth 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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