K6MgO4
K6MgO4 is a thermodynamically stable, semiconducting ternary oxide composed of potassium, magnesium, and oxygen.
About K6MgO4
K6MgO4 is a complex oxide composed of potassium, magnesium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the chemical space of alkali-magnesium oxides.
This compound exhibits semiconducting electronic characteristics, making it an intriguing subject for study in materials science. Its structural diversity, evidenced by multiple reported configurations, highlights its potential utility in specialized electronic or solid-state applications.
Key Properties
Cross-validated computational properties for K6MgO4, 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.
Reported Structures
Lowest-energy structures reported for K6MgO4, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.68 | 0.0000 | -4.137 | 2.63 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.50 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.59 |
| P63mc (No. 186) | Hexagonal | — | — | — | 2.62 |
| P63mc (No. 186) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K6MgO4, answered from cross-validated data.
What is K6MgO4?
K6MgO4 is a thermodynamically stable, semiconducting ternary oxide composed of potassium, magnesium, and oxygen.
What is the band gap of K6MgO4?
Is K6MgO4 a metal, semiconductor, or insulator?
Is K6MgO4 thermodynamically stable?
What is the crystal structure of K6MgO4?
What is the density of K6MgO4?
How many polymorphs of K6MgO4 are known?
What elements does K6MgO4 contain?
Where does the data for K6MgO4 come from?
How It Compares
As a unique ternary oxide, K6MgO4 serves as a distinct representative of its chemical family, providing a stable structural archetype for understanding the interplay between alkali metal coordination and magnesium-oxygen frameworks.
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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