K3As

Potassium arsenide is a binary inorganic compound composed of potassium and arsenic. It is primarily utilized in specialized research settings as a precursor for the synthesis of more complex semiconductor materials and arsenic-containing compounds.

AsK
Crystal structure of K3As (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for K3As, aggregated across 3 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K3As, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal0.110.0000-2.3192.15
Pm-3m (No. 221)
C2 (No. 5)Monoclinic1.60
P63/mmc (No. 194)
P63/mmc (No. 194)Hexagonal2.07
C2 (No. 5)Monoclinic1.80
P63/mmc (No. 194)Hexagonal2.13
C2 (No. 5)Monoclinic1.44
P63/mmc (No. 194)Hexagonal2.10
Uses

Applications

Where K3As is used.

Semiconductor researchChemical synthesis precursor
Reference

Frequently Asked Questions

Common questions about K3As, answered from cross-validated data.

What is K3As?

Potassium arsenide is a binary inorganic compound composed of potassium and arsenic. It is primarily utilized in specialized research settings as a precursor for the synthesis of more complex semiconductor materials and arsenic-containing compounds.

More questions
What is K3As used for?
K3As is used in semiconductor research and chemical synthesis precursor.
What is the band gap of K3As?
K3As has a DFT-computed band gap of 0.11 eV across 9 reported structures.
Is K3As a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is K3As thermodynamically stable?
Yes — K3As sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3As?
The lowest-energy reported polymorph of K3As is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of K3As?
The computed density of the ground-state structure of K3As is 2.15 g/cm³.
How many polymorphs of K3As are known?
9 structures of K3As are reported across 3 databases, spanning 3 distinct space groups.
What elements does K3As contain?
K3As contains As and K (2 elements).
Where does the data for K3As come from?
K3As data is cross-referenced from materials_project, jarvis, mpaloe.
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.

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