K2MgO2
K2MgO2 is a stable, semiconducting ternary oxide consisting of potassium, magnesium, and oxygen.
About K2MgO2
K2MgO2 is a ternary oxide composed of potassium, magnesium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, offering a well-defined structural framework for further investigation.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized solid-state applications. Its stability suggests potential for synthesis and integration into complex material architectures where predictable electronic behavior is required.
Key Properties
Cross-validated computational properties for K2MgO2, aggregated across 3 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 K2MgO2. 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 K2MgO2, 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. |
|---|---|---|---|---|---|
| — | — | 2.94 | 0.0000 | -1.886 | — |
| Pbcn (No. 60) | orthorhombic | 2.53 | 0.0000 | -4.723 | 2.65 |
| — | — | 1.20 | 0.3227 | -1.563 | — |
| Pbcn (No. 60) | orthorhombic | — | — | — | 2.61 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 2.61 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 2.51 |
Frequently Asked Questions
Common questions about K2MgO2, answered from cross-validated data.
What is K2MgO2?
K2MgO2 is a stable, semiconducting ternary oxide consisting of potassium, magnesium, and oxygen.
What is the band gap of K2MgO2?
Is K2MgO2 a metal, semiconductor, or insulator?
Is K2MgO2 thermodynamically stable?
What is the crystal structure of K2MgO2?
What is the density of K2MgO2?
How many polymorphs of K2MgO2 are known?
What elements does K2MgO2 contain?
Where does the data for K2MgO2 come from?
How It Compares
As a distinct ternary oxide, K2MgO2 serves as a foundational example of stable potassium-magnesium-oxygen chemistry. Without direct structural siblings in this specific class, it stands as a unique reference point for understanding the interplay between alkali metals and alkaline earth oxides in semiconducting materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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