KMgSb
KMgSb is a thermodynamically stable semiconducting ternary compound used in solid-state materials research.
About KMgSb
KMgSb is a distinct ternary compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating new functional materials with tunable transport properties. The compound has been extensively characterized across multiple databases, reflecting its significance in solid-state chemistry. Its structural integrity and stability suggest it could serve as a robust platform for exploring complex electronic behaviors in ternary systems. By providing a stable framework, KMgSb facilitates the study of charge carrier dynamics and potential applications in electronic devices that require reliable, well-defined semiconducting materials.
Key Properties
Cross-validated computational properties for KMgSb, aggregated across 5 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 KMgSb. 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 KMgSb, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.40 | 0.0000 | -0.676 | — |
| — | — | 1.40 | 0.0000 | -0.597 | — |
| P4/nmm (No. 129) | tetragonal | 1.27 | 0.0000 | -2.930 | 3.21 |
| — | — | 1.27 | 0.0601 | -0.537 | — |
| — | — | 1.21 | 0.1163 | -0.481 | — |
| — | — | 0.79 | 0.2913 | -0.306 | — |
| — | — | 0.81 | 0.3150 | -0.282 | — |
| — | — | 0.00 | 0.6175 | 0.020 | — |
| — | — | 0.00 | 0.9196 | 0.322 | — |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.24 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.20 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.13 |
Applications
Where KMgSb is used.
Frequently Asked Questions
Common questions about KMgSb, answered from cross-validated data.
What is KMgSb?
KMgSb is a thermodynamically stable semiconducting ternary compound used in solid-state materials research.
What is KMgSb used for?
What is the band gap of KMgSb?
Is KMgSb a metal, semiconductor, or insulator?
Is KMgSb thermodynamically stable?
What is the crystal structure of KMgSb?
How many polymorphs of KMgSb are known?
What elements does KMgSb contain?
Where does the data for KMgSb come from?
How It Compares
As a thermodynamically stable ternary phase, KMgSb serves as a foundational example of how alkali and alkaline-earth metals can be combined with pnictogens to form ordered, stable structures. While it exists as an isolated entry in this context, it represents the broader class of ternary pnictides that are increasingly studied for their potential to bridge the gap between traditional semiconductors and more exotic quantum materials.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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