Ge4K4N4O4

Ge4K4N4O4 is a stable, semiconducting quaternary compound containing germanium, potassium, nitrogen, and oxygen.

GeKNO
Crystal structure of Ge4K4N4O4 (orthorhombic, Pca21 (No. 29))
Ground-state structure · Materials Project
Overview

About Ge4K4N4O4

Ge4K4N4O4 is a complex quaternary compound composed of germanium, potassium, nitrogen, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system, offering significant interest for fundamental materials characterization.

This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating the interplay between its unique anionic framework and charge transport properties. Its existence across multiple structural databases underscores its importance as a well-defined crystalline phase.

At a glance

Key Properties

Cross-validated computational properties for Ge4K4N4O4, aggregated across 3 databases.

Band Gap

2.68 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ge4K4N4O4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pca21 (No. 29)orthorhombic2.680.0000-6.0343.74
Pca21 (No. 29)
3.74
3.74
Reference

Frequently Asked Questions

Common questions about Ge4K4N4O4, answered from cross-validated data.

What is Ge4K4N4O4?

Ge4K4N4O4 is a stable, semiconducting quaternary compound containing germanium, potassium, nitrogen, and oxygen.

More questions
What is the band gap of Ge4K4N4O4?
Ge4K4N4O4 has a DFT-computed band gap of 2.68 eV across 4 reported structures.
Is Ge4K4N4O4 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is Ge4K4N4O4 thermodynamically stable?
Yes — Ge4K4N4O4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge4K4N4O4?
The lowest-energy reported polymorph of Ge4K4N4O4 is orthorhombic symmetry, space group Pca21 (No. 29).
What is the density of Ge4K4N4O4?
The computed density of the ground-state structure of Ge4K4N4O4 is 3.74 g/cm³.
How many polymorphs of Ge4K4N4O4 are known?
4 structures of Ge4K4N4O4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ge4K4N4O4 contain?
Ge4K4N4O4 contains Ge, K, N, and O (4 elements).
Where does the data for Ge4K4N4O4 come from?
Ge4K4N4O4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique quaternary compound, Ge4K4N4O4 serves as a distinct representative of its chemical family. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding the stability and electronic behavior of complex germanium-potassium-nitrogen-oxygen frameworks.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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