Fe2Ga1Nb1
Fe2Ga1Nb1 is a stable, semimetallic ternary compound utilized primarily in advanced materials research.
About Fe2Ga1Nb1
Fe2Ga1Nb1 is a distinct intermetallic compound characterized by its stable position on the convex hull. Its electronic structure exhibits semimetallic behavior, placing it in a unique category of materials that bridge the gap between metallic conductors and semiconductors.
This compound is highly significant for materials science research due to its structural diversity, with numerous reported configurations. Its inherent thermodynamic stability makes it a reliable candidate for investigating fundamental phase formation and electronic interactions in complex ternary systems.
Key Properties
Cross-validated computational properties for Fe2Ga1Nb1, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for Fe2Ga1Nb1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.09 | 0.0000 | -7.775 | 8.93 |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Fe2Ga1Nb1 is used.
Frequently Asked Questions
Common questions about Fe2Ga1Nb1, answered from cross-validated data.
What is Fe2Ga1Nb1?
Fe2Ga1Nb1 is a stable, semimetallic ternary compound utilized primarily in advanced materials research.
What is Fe2Ga1Nb1 used for?
What is the band gap of Fe2Ga1Nb1?
Is Fe2Ga1Nb1 a metal, semiconductor, or insulator?
Is Fe2Ga1Nb1 thermodynamically stable?
What is the crystal structure of Fe2Ga1Nb1?
What is the density of Fe2Ga1Nb1?
How many polymorphs of Fe2Ga1Nb1 are known?
What elements does Fe2Ga1Nb1 contain?
Where does the data for Fe2Ga1Nb1 come from?
How It Compares
As a unique ternary intermetallic, Fe2Ga1Nb1 represents a specialized case within its structural class, serving as a foundational example of how iron, gallium, and niobium can organize into stable, near-zero-gap configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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