KGe
KGe is a thermodynamically stable semiconducting compound composed of potassium and germanium.
About KGe
KGe is a distinct binary compound composed of potassium and germanium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural foundation for further investigation. Its electronic character as a semiconductor makes it a subject of interest for fundamental studies in solid-state physics and materials design. The compound is characterized by a significant degree of structural diversity, as evidenced by the numerous reported configurations found across major materials databases. This structural richness suggests a complex interplay between its constituent elements, providing researchers with a versatile platform to explore how atomic arrangement influences electronic behavior in semiconducting systems.
Key Properties
Cross-validated computational properties for KGe, 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 KGe. 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 KGe, 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. |
|---|---|---|---|---|---|
| — | — | 1.06 | 0.0000 | -0.219 | — |
| P-43n (No. 218) | cubic | 0.91 | 0.0000 | -3.079 | 2.88 |
| I41/acd (No. 142) | tetragonal | 1.01 | 0.0094 | -3.070 | 2.98 |
| — | — | 1.44 | 0.1935 | -0.025 | — |
| — | — | 0.00 | 0.2678 | 0.049 | — |
| — | — | 0.00 | 0.5062 | 0.288 | — |
| — | — | 0.00 | 0.5917 | 0.373 | — |
| — | — | 0.00 | 0.6029 | 0.384 | — |
| — | — | 0.00 | 0.6177 | 0.399 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.6443 | 0.640 | — |
| — | — | 0.00 | 0.9854 | 0.767 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.9872 | -2.092 | 2.34 |
Applications
Where KGe is used.
Frequently Asked Questions
Common questions about KGe, answered from cross-validated data.
What is KGe?
KGe is a thermodynamically stable semiconducting compound composed of potassium and germanium.
What is KGe used for?
What is the band gap of KGe?
Is KGe a metal, semiconductor, or insulator?
Is KGe thermodynamically stable?
What is the crystal structure of KGe?
What is the density of KGe?
How many polymorphs of KGe are known?
What elements does KGe contain?
Where does the data for KGe come from?
How It Compares
As a standalone entry in this context, KGe serves as a primary example of a stable binary semiconductor within the alkali metal-germanide family, demonstrating the structural versatility inherent in these types of intermetallic frameworks.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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