Fe2Ge
Fe2Ge is a metallic iron-germanium compound known for its structural diversity and metastable thermodynamic state.
About Fe2Ge
Fe2Ge is a metallic intermetallic compound composed of iron and germanium. As a material lacking a band gap, it exhibits characteristic metallic electronic behavior, making it a subject of interest in studies of transition metal-metalloid bonding and structural phase formation. Its existence is marked by significant structural diversity, with numerous configurations documented across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which poses challenges for synthesis but provides valuable insights into the complex landscape of iron-germanium alloys. This metastability is a critical factor for researchers investigating phase transitions and the kinetics of formation in binary metallic systems.
Key Properties
Cross-validated computational properties for Fe2Ge, 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.
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 Fe2Ge. 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 Fe2Ge, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0386 | -0.081 | — |
| — | — | 0.00 | 0.0408 | -0.079 | — |
| — | — | 0.00 | 0.0563 | -0.063 | — |
| — | — | 0.00 | 0.0757 | -0.044 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0846 | -0.002 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1110 | -7.222 | 8.26 |
| — | — | 0.00 | 0.2371 | 0.117 | — |
| — | — | 0.00 | 0.2845 | 0.165 | — |
| — | — | 0.00 | 0.3303 | 0.211 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.3578 | 0.271 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.3679 | -6.965 | 7.76 |
| — | — | 0.00 | 0.7916 | 0.672 | — |
Applications
Where Fe2Ge is used.
Frequently Asked Questions
Common questions about Fe2Ge, answered from cross-validated data.
What is Fe2Ge?
Fe2Ge is a metallic iron-germanium compound known for its structural diversity and metastable thermodynamic state.
What is Fe2Ge used for?
What is the band gap of Fe2Ge?
Is Fe2Ge a metal, semiconductor, or insulator?
Is Fe2Ge thermodynamically stable?
What is the crystal structure of Fe2Ge?
How many polymorphs of Fe2Ge are known?
What elements does Fe2Ge contain?
Where does the data for Fe2Ge come from?
How It Compares
As a binary iron-germanide, Fe2Ge represents a specific point in the iron-germanium phase diagram where the stoichiometry influences both its electronic properties and its thermodynamic stability. Unlike more stable, highly ordered intermetallic phases, Fe2Ge is characterized by its metastable nature, requiring precise control over synthesis conditions to stabilize its structure. Its role within the broader class of iron-germanium compounds is that of a complex, structure-rich phase that highlights the sensitivity of metallic bonding to atomic arrangement.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Fe2Ge in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →