Li2SO4
Lithium sulfate · Lithium sulphate
Lithium sulfate is a stable, insulating lithium salt widely used in glass manufacturing and ceramic processing.
About Lithium sulfate
Lithium sulfate is a robust, thermodynamically stable member of the lithium oxide family. As a wide-band-gap insulator, it exhibits excellent structural integrity and is characterized by its high chemical stability, making it a reliable material for various industrial applications.
Its role as a stable inorganic compound allows it to function effectively in high-temperature environments. It is frequently utilized in the production of specialized glass and ceramic materials where insulating properties are essential for performance.
Key Properties
Cross-validated computational properties for Lithium sulfate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2SO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li2SO4, 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. |
|---|---|---|---|---|---|
| — | — | 6.55 | 0.0000 | -2.193 | — |
| P21/c (No. 14) | monoclinic | 6.44 | 0.0000 | -2.009 | — |
| P21/c (No. 14) | monoclinic | 6.02 | 0.0000 | -6.275 | 2.27 |
| Cmcm (No. 63) | orthorhombic | 6.57 | 0.0290 | -1.980 | — |
| — | — | 6.41 | 0.0548 | -2.139 | — |
| Cmcm (No. 63) | orthorhombic | 5.99 | 0.0549 | -6.220 | 2.57 |
| — | — | 6.61 | 0.0579 | -2.135 | — |
| — | — | 6.59 | 0.0612 | -2.132 | — |
| P1 (No. 1) | triclinic | 5.55 | 0.1076 | -6.168 | 2.21 |
| F-43m (No. 216) | cubic | 3.92 | 0.2676 | -6.008 | 1.59 |
| F-43m (No. 216) | cubic | 3.80 | 0.2823 | -1.727 | — |
| — | — | 3.68 | 0.6496 | -1.544 | — |
Applications
Where Lithium sulfate is used.
Frequently Asked Questions
Common questions about Lithium sulfate, answered from cross-validated data.
What is Li2SO4?
Lithium sulfate is a stable, insulating lithium salt widely used in glass manufacturing and ceramic processing.
What is Li2SO4 used for?
What is the band gap of Li2SO4?
Is Li2SO4 a metal, semiconductor, or insulator?
Is Li2SO4 thermodynamically stable?
What is the crystal structure of Li2SO4?
How many polymorphs of Li2SO4 are known?
What elements does Li2SO4 contain?
Where does the data for Li2SO4 come from?
How It Compares
Within the lithium oxides class.
Unlike the transition metal-based lithium oxides such as LiCoO2 or LiNiO2, which are primarily known for their electrochemical activity in battery cathodes, Li2SO4 acts as a stable, insulating salt. While its siblings are often optimized for ion mobility and redox reactions, Li2SO4 serves as a chemically inert structural component within its class.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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