K2Mg2O3
K2Mg2O3 is a wide-gap insulating ternary oxide that is theoretically stable enough to be a target for experimental synthesis.
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.
Key Properties
Cross-validated computational properties for K2Mg2O3, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K2Mg2O3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K2Mg2O3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 3.33 | 0.0065 | -2.182 | — |
| P21/c (No. 14) | monoclinic | 2.89 | 0.0077 | -5.174 | 2.77 |
| P43212 (No. 96) | tetragonal | 2.92 | 0.0278 | -5.154 | 2.76 |
| P21/c (No. 14) | monoclinic | 3.31 | 0.0289 | -2.252 | — |
| P43212 (No. 96) | tetragonal | 3.33 | 0.0505 | -2.231 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 2.76 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.77 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.65 |
| P43212 (No. 96) | tetragonal | — | — | — | 2.76 |
| P43212 (No. 96) | tetragonal | — | — | — | 2.65 |
| P43212 (No. 96) | tetragonal | — | — | — | 2.75 |
Applications
Where K2Mg2O3 is used.
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.
What is K2Mg2O3 used for?
What is the band gap of K2Mg2O3?
Is K2Mg2O3 a metal, semiconductor, or insulator?
Is K2Mg2O3 thermodynamically stable?
What is the crystal structure of K2Mg2O3?
What is the density of K2Mg2O3?
How many polymorphs of K2Mg2O3 are known?
What elements does K2Mg2O3 contain?
Where does the data for K2Mg2O3 come from?
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
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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