KS3
Potassium trisulfide is a binary inorganic compound consisting of potassium and sulfur. It is primarily studied in the context of solid-state chemistry and as a precursor material for the synthesis of complex chalcogenides.
KS
Overview
Key Properties
Cross-validated computational properties for KS3, aggregated across 2 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.
1.89 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.
46
2 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KS3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.89 | 0.0000 | -8.149 | 1.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.24 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.93 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.82 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.09 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.49 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.82 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.80 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.24 |
Uses
Applications
Where KS3 is used.
Solid-state chemistry researchPrecursor for complex chalcogenide synthesis
Reference
Frequently Asked Questions
Common questions about KS3, answered from cross-validated data.
What is KS3?
Potassium trisulfide is a binary inorganic compound consisting of potassium and sulfur. It is primarily studied in the context of solid-state chemistry and as a precursor material for the synthesis of complex chalcogenides.
More questions
What is KS3 used for?
KS3 is used in solid-state chemistry research and precursor for complex chalcogenide synthesis.
What is the band gap of KS3?
KS3 has a DFT-computed band gap of 1.89 eV across 46 reported structures.
Is KS3 a metal, semiconductor, or insulator?
With a band gap up to 1.89 eV it is a semiconductor.
Is KS3 thermodynamically stable?
Yes — KS3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KS3?
The lowest-energy reported polymorph of KS3 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of KS3?
The computed density of the ground-state structure of KS3 is 1.99 g/cm³.
How many polymorphs of KS3 are known?
46 structures of KS3 are reported across 2 databases, spanning 9 distinct space groups.
What elements does KS3 contain?
KS3 contains K and S (2 elements).
Where does the data for KS3 come from?
KS3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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