KAs
Potassium arsenide is a binary inorganic compound composed of potassium and arsenic. It is primarily studied in the context of solid-state chemistry and materials research as a semiconductor material.
AsK
Overview
Key Properties
Cross-validated computational properties for KAs, aggregated across 4 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.
0.67 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.
45
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KAs, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.67 | 0.0000 | -3.338 | 3.01 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.1108 | -3.228 | 2.60 |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.8484 | -2.490 | 2.36 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 2.60 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 1.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.01 |
| P1 (No. 1) | Triclinic | — | — | — | 0.80 |
| P1 (No. 1) | Triclinic | — | — | — | 0.87 |
| P1 (No. 1) | Triclinic | — | — | — | 0.94 |
| P1 (No. 1) | Triclinic | — | — | — | 1.90 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.51 |
Uses
Applications
Where KAs is used.
semiconductor researchmaterials science studies
Reference
Frequently Asked Questions
Common questions about KAs, answered from cross-validated data.
What is KAs?
Potassium arsenide is a binary inorganic compound composed of potassium and arsenic. It is primarily studied in the context of solid-state chemistry and materials research as a semiconductor material.
More questions
What is KAs used for?
KAs is used in semiconductor research and materials science studies.
What is the band gap of KAs?
KAs has a DFT-computed band gap of 0.67 eV across 45 reported structures.
Is KAs a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is KAs thermodynamically stable?
Yes — KAs sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KAs?
The lowest-energy reported polymorph of KAs is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of KAs?
The computed density of the ground-state structure of KAs is 3.01 g/cm³.
How many polymorphs of KAs are known?
45 structures of KAs are reported across 4 databases, spanning 15 distinct space groups.
What elements does KAs contain?
KAs contains As and K (2 elements).
Where does the data for KAs come from?
KAs data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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