K4UO5

K4UO5 is a stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.

KOU
Crystal structure of K4UO5 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About K4UO5

K4UO5 is a distinct potassium-based uranate that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a well-defined inorganic compound with multiple documented structural configurations.

Its stability and electronic characteristics make it a subject of interest for researchers investigating the fundamental chemistry of uranium oxides and alkali metal coordination. The compound serves as a key reference point for understanding the complex interactions between uranium and oxygen within alkali-rich environments.

At a glance

Key Properties

Cross-validated computational properties for K4UO5, aggregated across 3 databases.

Band Gap

2.17 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for K4UO5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic2.170.0000-6.6854.39
P-1 (No. 2)Triclinic4.21
P-1 (No. 2)Triclinic4.38
P-1 (No. 2)Triclinic4.29
P-1 (No. 2)
Uses

Applications

Where K4UO5 is used.

Fundamental materials researchSolid-state chemistry studiesUranium coordination chemistry
Reference

Frequently Asked Questions

Common questions about K4UO5, answered from cross-validated data.

What is K4UO5?

K4UO5 is a stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.

More questions
What is K4UO5 used for?
K4UO5 is used in fundamental materials research, solid-state chemistry studies, and uranium coordination chemistry.
What is the band gap of K4UO5?
K4UO5 has a DFT-computed band gap of 2.17 eV across 5 reported structures.
Is K4UO5 a metal, semiconductor, or insulator?
With a band gap up to 2.17 eV it is a semiconductor.
Is K4UO5 thermodynamically stable?
Yes — K4UO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K4UO5?
The lowest-energy reported polymorph of K4UO5 is triclinic symmetry, space group P-1 (No. 2).
What is the density of K4UO5?
The computed density of the ground-state structure of K4UO5 is 4.39 g/cm³.
How many polymorphs of K4UO5 are known?
5 structures of K4UO5 are reported across 3 databases, spanning 1 distinct space group.
What elements does K4UO5 contain?
K4UO5 contains K, O, and U (3 elements).
Where does the data for K4UO5 come from?
K4UO5 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique member of the potassium uranate family, K4UO5 occupies a stable position within its chemical space, serving as a foundational reference for understanding the structural and electronic diversity of ternary uranium oxides.

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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