KSbSe2
Potassium antimony selenide is a ternary semiconductor material characterized by its layered crystal structure. It is primarily investigated for its potential utility in advanced optoelectronic devices and energy conversion technologies.
Overview
Key Properties
Cross-validated computational properties for KSbSe2, aggregated across 6 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.
1.12–1.45 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)
5 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
6 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KSbSe2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 1.13 | 0.0000 | -3.995 | 3.98 |
| P-1 (No. 2) | triclinic | 1.12 | 0.0000 | -4.097 | 4.31 |
| P-1 (No. 2) | triclinic | 1.45 | 0.0146 | -3.980 | 4.25 |
| — | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 4.38 |
| P1 (No. 1) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 3.85 |
| P1 (No. 1) | Triclinic | — | — | — | 3.60 |
| P1 (No. 1) | Triclinic | — | — | — | 3.58 |
Uses
Applications
Where KSbSe2 is used.
Photovoltaic researchInfrared optical materialsSemiconductor device development
Reference
Frequently Asked Questions
Common questions about KSbSe2, answered from cross-validated data.
What is KSbSe2?
Potassium antimony selenide is a ternary semiconductor material characterized by its layered crystal structure. It is primarily investigated for its potential utility in advanced optoelectronic devices and energy conversion technologies.
More questions
What is KSbSe2 used for?
KSbSe2 is used in photovoltaic research, infrared optical materials, and semiconductor device development.
What is the band gap of KSbSe2?
KSbSe2 has a DFT-computed band gap of 1.12–1.45 eV across 18 reported structures.
Is KSbSe2 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is KSbSe2 thermodynamically stable?
Yes — KSbSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KSbSe2?
The lowest-energy reported polymorph of KSbSe2 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of KSbSe2?
The computed density of the ground-state structure of KSbSe2 is 3.98 g/cm³.
How many polymorphs of KSbSe2 are known?
18 structures of KSbSe2 are reported across 6 databases, spanning 3 distinct space groups.
What elements does KSbSe2 contain?
KSbSe2 contains K, Sb, and Se (3 elements).
Where does the data for KSbSe2 come from?
KSbSe2 data is cross-referenced from materials_project, alexandria, jarvis, omat24, nomad, mpaloe.
Explore
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
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