K2Mg2O3

K2Mg2O3 is a wide-gap insulating ternary oxide that is theoretically stable enough to be a target for experimental synthesis.

KMgO
Crystal structure of K2Mg2O3 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About K2Mg2O3

K2Mg2O3 is an insulating oxide composed of potassium, magnesium, and oxygen. As a material with near-hull thermodynamic stability, it is considered a strong candidate for successful experimental synthesis and characterization in laboratory settings.

Its wide-gap electronic character positions it as an insulator, making it a subject of interest for fundamental materials science studies. With multiple reported structures across various databases, it serves as a valuable case study for exploring complex ternary oxide phases.

At a glance

Key Properties

Cross-validated computational properties for K2Mg2O3, aggregated across 3 databases.

Band Gap

3.08–3.25 eV
Range across DFT structures

Energy Above Hull

0.008 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K2Mg2O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic3.080.0077-5.1742.77
P43212 (No. 96)tetragonal3.250.0278-5.1542.76
P21/c (No. 14)
P43212 (No. 96)
P43212 (No. 96)Tetragonal2.65
P43212 (No. 96)Tetragonal2.76
P43212 (No. 96)Tetragonal2.75
P21/c (No. 14)Monoclinic2.65
P21/c (No. 14)Monoclinic2.77
P21/c (No. 14)Monoclinic2.76
Uses

Applications

Where K2Mg2O3 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about K2Mg2O3, answered from cross-validated data.

What is K2Mg2O3?

K2Mg2O3 is a wide-gap insulating ternary oxide that is theoretically stable enough to be a target for experimental synthesis.

More questions
What is K2Mg2O3 used for?
K2Mg2O3 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of K2Mg2O3?
K2Mg2O3 has a DFT-computed band gap of 3.08–3.25 eV across 10 reported structures.
Is K2Mg2O3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.25 eV it is an insulator / wide-band-gap material.
Is K2Mg2O3 thermodynamically stable?
K2Mg2O3 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of K2Mg2O3?
The lowest-energy reported polymorph of K2Mg2O3 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of K2Mg2O3?
The computed density of the ground-state structure of K2Mg2O3 is 2.77 g/cm³.
How many polymorphs of K2Mg2O3 are known?
10 structures of K2Mg2O3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does K2Mg2O3 contain?
K2Mg2O3 contains K, Mg, and O (3 elements).
Where does the data for K2Mg2O3 come from?
K2Mg2O3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique ternary oxide, K2Mg2O3 occupies a distinct space in materials research where it serves as a representative example of alkali-alkaline earth oxide systems. It provides a foundational reference point for understanding the structural diversity and stability trends within this specific chemical family.

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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