KSb2
Potassium diantimonide is a binary intermetallic compound composed of potassium and antimony. It is primarily studied in the field of solid-state chemistry for its structural properties and potential electronic characteristics.
KSb
Overview
Key Properties
Cross-validated computational properties for KSb2, 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.
0.22 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
38
3 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KSb2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.22 | 0.0000 | -19.535 | 4.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.46 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.33 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.72 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.53 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.29 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.54 |
Uses
Applications
Where KSb2 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about KSb2, answered from cross-validated data.
What is KSb2?
Potassium diantimonide is a binary intermetallic compound composed of potassium and antimony. It is primarily studied in the field of solid-state chemistry for its structural properties and potential electronic characteristics.
More questions
What is KSb2 used for?
KSb2 is used in materials science research and solid-state physics studies.
What is the band gap of KSb2?
KSb2 has a DFT-computed band gap of 0.22 eV across 38 reported structures.
Is KSb2 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is KSb2 thermodynamically stable?
Yes — KSb2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KSb2?
The lowest-energy reported polymorph of KSb2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of KSb2?
The computed density of the ground-state structure of KSb2 is 4.34 g/cm³.
How many polymorphs of KSb2 are known?
38 structures of KSb2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does KSb2 contain?
KSb2 contains K and Sb (2 elements).
Where does the data for KSb2 come from?
KSb2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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