SiGe
SiGe has a DFT band gap of 0.41–0.61 eV across 48 reported structures in 15 space groups; its lowest-energy polymorph is cubic (F-43m (No. 216)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for SiGe, 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.
0.41–0.61 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.
0.016 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
48
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiGe, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.61 | 0.0162 | -11.307 | 3.93 |
| P63mc (No. 186) | hexagonal | 0.41 | 0.0308 | -11.292 | 3.93 |
| P21 (No. 4) | monoclinic | 0.51 | 0.0530 | -11.270 | 3.81 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 4.02 |
| I213 (No. 199) | Cubic | — | — | — | 4.10 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.98 |
| P1 (No. 1) | Triclinic | — | — | — | 6.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.34 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.93 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.98 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.06 |
Reference
Frequently Asked Questions
Common questions about SiGe, answered from cross-validated data.
What is the band gap of SiGe?
SiGe has a DFT-computed band gap of 0.41–0.61 eV across 48 reported structures.
More questions
Is SiGe a metal, semiconductor, or insulator?
With a band gap up to 0.61 eV it is a semiconductor.
Is SiGe thermodynamically stable?
SiGe has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of SiGe?
The lowest-energy reported polymorph of SiGe is cubic symmetry, space group F-43m (No. 216).
What is the density of SiGe?
The computed density of the ground-state structure of SiGe is 3.93 g/cm³.
How many polymorphs of SiGe are known?
48 structures of SiGe are reported across 4 databases, spanning 15 distinct space groups.
What elements does SiGe contain?
SiGe contains Ge and Si (2 elements).
Where does the data for SiGe come from?
SiGe data is cross-referenced from materials_project, mpaloe.
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Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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