K2Li2O8S2
This compound is a complex sulfate salt containing both potassium and lithium cations. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
KLiOS
Overview
Key Properties
Cross-validated computational properties for K2Li2O8S2, 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.
5.32–5.54 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2Li2O8S2, 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. |
|---|---|---|---|---|---|
| P31c (No. 159) | trigonal | 5.32 | 0.0000 | -6.155 | 2.27 |
| Cc (No. 9) | monoclinic | 5.32 | 0.0001 | -6.155 | 2.27 |
| P63 (No. 173) | hexagonal | 5.32 | 0.0002 | -6.155 | 2.27 |
| Pna21 (No. 33) | orthorhombic | 5.54 | 0.0088 | -6.147 | 2.24 |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P31c (No. 159) | — | — | — | — | — |
| P31c (No. 159) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
Uses
Applications
Where K2Li2O8S2 is used.
Solid-state electrolyte researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about K2Li2O8S2, answered from cross-validated data.
What is K2Li2O8S2?
This compound is a complex sulfate salt containing both potassium and lithium cations. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
More questions
What is K2Li2O8S2 used for?
K2Li2O8S2 is used in solid-state electrolyte research and materials science experimentation.
What is the band gap of K2Li2O8S2?
K2Li2O8S2 has a DFT-computed band gap of 5.32–5.54 eV across 23 reported structures.
Is K2Li2O8S2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.54 eV it is an insulator / wide-band-gap material.
Is K2Li2O8S2 thermodynamically stable?
Yes — K2Li2O8S2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2Li2O8S2?
The lowest-energy reported polymorph of K2Li2O8S2 is trigonal symmetry, space group P31c (No. 159).
What is the density of K2Li2O8S2?
The computed density of the ground-state structure of K2Li2O8S2 is 2.27 g/cm³.
How many polymorphs of K2Li2O8S2 are known?
23 structures of K2Li2O8S2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does K2Li2O8S2 contain?
K2Li2O8S2 contains K, Li, O, and S (4 elements).
Where does the data for K2Li2O8S2 come from?
K2Li2O8S2 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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