KGe
Potassium germanide is a binary intermetallic compound consisting of potassium and germanium. It is primarily studied in solid-state chemistry for its unique structural properties and its role as a precursor in the synthesis of complex germanium-based materials.
GeK
Overview
Key Properties
Cross-validated computational properties for KGe, aggregated across 4 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.
0.91–1.01 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
56
4 databases, 16 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| 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 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.9872 | -2.092 | 2.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.84 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.35 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.40 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 0.98 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 3.25 |
Uses
Applications
Where KGe is used.
Solid-state chemistry researchPrecursor for germanium-based materialsFundamental materials science studies
Reference
Frequently Asked Questions
Common questions about KGe, answered from cross-validated data.
What is KGe?
Potassium germanide is a binary intermetallic compound consisting of potassium and germanium. It is primarily studied in solid-state chemistry for its unique structural properties and its role as a precursor in the synthesis of complex germanium-based materials.
More questions
What is KGe used for?
KGe is used in solid-state chemistry research, precursor for germanium-based materials, and fundamental materials science studies.
What is the band gap of KGe?
KGe has a DFT-computed band gap of 0.91–1.01 eV across 56 reported structures.
Is KGe a metal, semiconductor, or insulator?
With a band gap up to 1.01 eV it is a semiconductor.
Is KGe thermodynamically stable?
Yes — KGe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KGe?
The lowest-energy reported polymorph of KGe is cubic symmetry, space group P-43n (No. 218).
What is the density of KGe?
The computed density of the ground-state structure of KGe is 2.88 g/cm³.
How many polymorphs of KGe are known?
56 structures of KGe are reported across 4 databases, spanning 16 distinct space groups.
What elements does KGe contain?
KGe contains Ge and K (2 elements).
Where does the data for KGe come from?
KGe data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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