LiSO4
LiSO4 is a metastable, semimetallic lithium oxide compound that serves as a unique subject for studying unconventional electronic properties in inorganic materials.
About LiSO4
LiSO4 is a metastable lithium oxide compound characterized by its near-zero-gap electronic structure. As a semimetallic material, it occupies a distinct niche within the broader family of lithium oxides, offering researchers a rare structural configuration that deviates from typical insulating oxide behaviors. Its existence across multiple databases highlights its significance as an unconventional subject for fundamental condensed matter studies. The compound serves as a point of interest for understanding the limits of structural stability in lithium-sulfur-oxygen systems. While it does not share the common industrial utility of traditional battery cathodes, its unique electronic nature makes it a valuable candidate for exploring exotic phase transitions and charge transport mechanisms in metastable inorganic solids.
Key Properties
Cross-validated computational properties for LiSO4, 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 LiSO4, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 0.01 | 0.0851 | -6.142 | 1.60 |
| P63 (No. 173) | Hexagonal | — | — | — | 1.60 |
| P63 (No. 173) | Hexagonal | — | — | — | 1.70 |
| P63 (No. 173) | Hexagonal | — | — | — | 1.63 |
| P63 (No. 173) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.68 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.90 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.75 |
Applications
Where LiSO4 is used.
Frequently Asked Questions
Common questions about LiSO4, answered from cross-validated data.
What is LiSO4?
LiSO4 is a metastable, semimetallic lithium oxide compound that serves as a unique subject for studying unconventional electronic properties in inorganic materials.
What is LiSO4 used for?
What is the band gap of LiSO4?
Is LiSO4 a metal, semiconductor, or insulator?
Is LiSO4 thermodynamically stable?
What is the crystal structure of LiSO4?
What is the density of LiSO4?
How many polymorphs of LiSO4 are known?
What elements does LiSO4 contain?
Where does the data for LiSO4 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and widely utilized battery materials such as LiCoO2, LiNiO2, or LiMn2O4, which function as robust ionic conductors and cathode active materials, LiSO4 is notably metastable. While siblings like Li2O provide foundational insights into simple oxide bonding, LiSO4 represents a more complex and electronically volatile member of the class, lacking the long-term thermodynamic persistence found in established lithium-based energy storage compounds.
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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