K2Se3
Potassium triselenide is a binary inorganic compound composed of potassium and selenium. It belongs to the class of alkali metal polyselenides and is primarily utilized as a precursor in solid-state chemistry for the synthesis of more complex chalcogenide materials.
KSe
Overview
Key Properties
Cross-validated computational properties for K2Se3, aggregated across 5 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.
0.64 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
5 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2Se3, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.64 | 0.0000 | -3.624 | 3.37 |
| Cmc21 (No. 36) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.60 |
| R32 (No. 155) | Trigonal | — | — | — | 3.21 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.34 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.99 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.27 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.36 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.07 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.95 |
| — | — | — | — | — | 3.58 |
Uses
Applications
Where K2Se3 is used.
Solid-state synthesisPrecursor for complex chalcogenidesMaterials science research
Reference
Frequently Asked Questions
Common questions about K2Se3, answered from cross-validated data.
What is K2Se3?
Potassium triselenide is a binary inorganic compound composed of potassium and selenium. It belongs to the class of alkali metal polyselenides and is primarily utilized as a precursor in solid-state chemistry for the synthesis of more complex chalcogenide materials.
More questions
What is K2Se3 used for?
K2Se3 is used in solid-state synthesis, precursor for complex chalcogenides, and materials science research.
What is the band gap of K2Se3?
K2Se3 has a DFT-computed band gap of 0.64 eV across 14 reported structures.
Is K2Se3 a metal, semiconductor, or insulator?
With a band gap up to 0.64 eV it is a semiconductor.
Is K2Se3 thermodynamically stable?
Yes — K2Se3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2Se3?
The lowest-energy reported polymorph of K2Se3 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of K2Se3?
The computed density of the ground-state structure of K2Se3 is 3.37 g/cm³.
How many polymorphs of K2Se3 are known?
14 structures of K2Se3 are reported across 5 databases, spanning 7 distinct space groups.
What elements does K2Se3 contain?
K2Se3 contains K and Se (2 elements).
Where does the data for K2Se3 come from?
K2Se3 data is cross-referenced from materials_project, jarvis, mpaloe, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze K2Se3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →