KPO4

KPO4 is a semimetallic inorganic compound consisting of potassium, phosphorus, and oxygen that exhibits metastable thermodynamic characteristics.

KOP
Crystal structure of KPO4
Ground-state structure · Materials Project
Overview

About KPO4

KPO4 is a complex inorganic compound composed of potassium, phosphorus, and oxygen. It exhibits a semimetallic electronic character, placing it in a unique position regarding its electrical conductivity compared to typical insulating phosphates.

Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Despite this, it remains a subject of interest in structural chemistry, with multiple distinct arrangements reported across various databases.

At a glance

Key Properties

Cross-validated computational properties for KPO4, aggregated across 4 databases.

Band Gap

0.01 eV
Range across DFT structures

Energy Above Hull

0.195 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

12
4 databases, 6 space groups
Reference

Frequently Asked Questions

Common questions about KPO4, answered from cross-validated data.

What is KPO4?

KPO4 is a semimetallic inorganic compound consisting of potassium, phosphorus, and oxygen that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of KPO4?
KPO4 has a DFT-computed band gap of 0.01 eV across 12 reported structures.
Is KPO4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is KPO4 thermodynamically stable?
KPO4 has a lowest energy above hull of 0.195 eV/atom (above hull).
How many polymorphs of KPO4 are known?
12 structures of KPO4 are reported across 4 databases, spanning 6 distinct space groups.
What elements does KPO4 contain?
KPO4 contains K, O, and P (3 elements).
Where does the data for KPO4 come from?
KPO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in this chemical space, KPO4 represents a challenging case of structural diversity where the combination of alkali metals and phosphate groups leads to unconventional electronic behavior.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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