FeGe
iron monogermanide · iron germanide
FeGe is a stable semimetallic iron-germanium compound known for its significant structural diversity.
About iron monogermanide
FeGe is a thermodynamically stable intermetallic compound composed of iron and germanium. As a member of the transition metal germanide family, it resides on the convex hull, indicating robust structural integrity under standard conditions.
Characterized by a near-zero-gap electronic structure, this material functions as a semimetal. Its high degree of structural complexity is evidenced by the extensive number of reported crystallographic phases, making it a significant subject for solid-state physics and materials science investigations.
Key Properties
Cross-validated computational properties for iron monogermanide, 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 FeGe. 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 FeGe, 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. |
|---|---|---|---|---|---|
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | -6.669 | 7.19 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0198 | -6.649 | 7.78 |
| P213 (No. 198) | cubic | 0.09 | 0.1096 | -6.559 | 8.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.29 |
| C2/m (No. 12) | — | — | — | — | — |
| P212121 (No. 19) | Orthorhombic | — | — | — | 6.06 |
| P3221 (No. 154) | Trigonal | — | — | — | 4.10 |
| P3221 (No. 154) | Trigonal | — | — | — | 6.94 |
| P1 (No. 1) | Triclinic | — | — | — | 4.02 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 6.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.94 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.52 |
Applications
Where iron monogermanide is used.
Frequently Asked Questions
Common questions about iron monogermanide, answered from cross-validated data.
What is FeGe?
FeGe is a stable semimetallic iron-germanium compound known for its significant structural diversity.
What is FeGe used for?
What is the band gap of FeGe?
Is FeGe a metal, semiconductor, or insulator?
Is FeGe thermodynamically stable?
What is the crystal structure of FeGe?
What is the density of FeGe?
How many polymorphs of FeGe are known?
What elements does FeGe contain?
Where does the data for FeGe come from?
How It Compares
As a thermodynamically stable semimetallic phase, FeGe represents a foundational example of binary transition metal germanides, serving as a benchmark for understanding electronic behavior and structural polymorphism in this material class.
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).
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