LiH3O2
Lithium hydroxide monohydrate · Lithium hydroxide hydrate
Lithium hydroxide monohydrate is a crystalline inorganic compound that serves as a primary source of lithium in various chemical processes. It is widely utilized as a precursor for the synthesis of complex lithium-based materials, particularly those used in advanced energy storage systems.
Key Properties
Cross-validated computational properties for Lithium hydroxide monohydrate, 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 LiH3O2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 4.75 | 0.0000 | -5.201 | 1.58 |
| P-1 (No. 2) | triclinic | 4.88 | 0.0007 | -5.200 | 1.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.49 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Lithium hydroxide monohydrate is used.
Frequently Asked Questions
Common questions about Lithium hydroxide monohydrate, answered from cross-validated data.
What is LiH3O2?
Lithium hydroxide monohydrate is a crystalline inorganic compound that serves as a primary source of lithium in various chemical processes. It is widely utilized as a precursor for the synthesis of complex lithium-based materials, particularly those used in advanced energy storage systems.
What is LiH3O2 used for?
What is the band gap of LiH3O2?
Is LiH3O2 a metal, semiconductor, or insulator?
Is LiH3O2 thermodynamically stable?
What is the crystal structure of LiH3O2?
What is the density of LiH3O2?
How many polymorphs of LiH3O2 are known?
What elements does LiH3O2 contain?
Where does the data for LiH3O2 come from?
Related Compounds
Other Lithium Oxides 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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