K3P

Potassium phosphide · Tripotassium phosphide

Potassium phosphide is an inorganic compound composed of potassium and phosphorus. It is highly reactive and is primarily utilized as a specialized chemical reagent in synthetic chemistry and materials research.

KP
Crystal structure of K3P (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Potassium phosphide, aggregated across 4 databases.

Band Gap

0.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

9
4 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K3P, 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)hexagonal0.210.0000-7.0991.76
P63/mmc (No. 194)
Pm-3m (No. 221)
Fm-3m (No. 225)
P63/mmc (No. 194)Hexagonal1.73
1.93
1.93
P63/mmc (No. 194)Hexagonal1.70
P63/mmc (No. 194)Hexagonal1.76
Uses

Applications

Where Potassium phosphide is used.

Chemical synthesisSemiconductor researchLaboratory reagent
Reference

Frequently Asked Questions

Common questions about Potassium phosphide, answered from cross-validated data.

What is K3P?

Potassium phosphide is an inorganic compound composed of potassium and phosphorus. It is highly reactive and is primarily utilized as a specialized chemical reagent in synthetic chemistry and materials research.

More questions
What is K3P used for?
Potassium phosphide (K3P) is used in chemical synthesis, semiconductor research, and laboratory reagent.
What is the band gap of K3P?
Potassium phosphide (K3P) has a DFT-computed band gap of 0.21 eV across 9 reported structures.
Is K3P a metal, semiconductor, or insulator?
With a band gap up to 0.21 eV it is a semiconductor.
Is K3P thermodynamically stable?
Yes — Potassium phosphide (K3P) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3P?
The lowest-energy reported polymorph of Potassium phosphide (K3P) is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of K3P?
The computed density of the ground-state structure of Potassium phosphide (K3P) is 1.76 g/cm³.
How many polymorphs of K3P are known?
9 structures of K3P are reported across 4 databases, spanning 3 distinct space groups.
What elements does K3P contain?
Potassium phosphide (K3P) contains K and P (2 elements).
Where does the data for K3P come from?
K3P data is cross-referenced from materials_project, jarvis, mpaloe, omat24.
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).

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