KMgBO3
KMgBO3 is a stable, wide-band-gap insulating compound composed of potassium, magnesium, boron, and oxygen.
About KMgBO3
KMgBO3 is a complex inorganic compound composed of potassium, magnesium, boron, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it a subject of interest for researchers investigating stable dielectric materials. Its position on the thermodynamic convex hull indicates high structural stability, suggesting potential for long-term reliability in various solid-state environments.
The compound is characterized by a well-defined structural profile, supported by multiple entries across major materials databases. Its insulating nature and stable composition provide a foundational platform for exploring advanced functional materials, particularly where thermal and chemical resilience are required for high-performance applications.
Key Properties
Cross-validated computational properties for KMgBO3, 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 KMgBO3. 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 KMgBO3, 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. |
|---|---|---|---|---|---|
| — | — | 4.78 | 0.0000 | -2.659 | — |
| P213 (No. 198) | cubic | 4.62 | 0.0000 | -6.826 | 2.46 |
| P213 (No. 198) | cubic | 4.51 | 0.0094 | -2.652 | — |
| P213 (No. 198) | cubic | — | — | — | 2.54 |
| P213 (No. 198) | cubic | — | — | — | 2.56 |
| P213 (No. 198) | cubic | — | — | — | 2.51 |
| P213 (No. 198) | cubic | — | — | — | 2.46 |
Applications
Where KMgBO3 is used.
Frequently Asked Questions
Common questions about KMgBO3, answered from cross-validated data.
What is KMgBO3?
KMgBO3 is a stable, wide-band-gap insulating compound composed of potassium, magnesium, boron, and oxygen.
What is KMgBO3 used for?
What is the band gap of KMgBO3?
Is KMgBO3 a metal, semiconductor, or insulator?
Is KMgBO3 thermodynamically stable?
What is the crystal structure of KMgBO3?
What is the density of KMgBO3?
How many polymorphs of KMgBO3 are known?
What elements does KMgBO3 contain?
Where does the data for KMgBO3 come from?
How It Compares
As a thermodynamically stable member of its structural class, KMgBO3 serves as a reliable baseline for studying alkali-metal magnesium borates. It represents a stable configuration within this chemical space, offering a benchmark for researchers to evaluate the structural and electronic trends of related borate-based insulators.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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