Fe2Ga1Ta1
This is a ternary intermetallic compound composed of iron, gallium, and tantalum. It is primarily studied in materials science research for its structural properties and potential magnetic characteristics.
FeGaTa
Overview
Key Properties
Cross-validated computational properties for Fe2Ga1Ta1, 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.
0.06 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Fe2Ga1Ta1, 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 | 0.06 | 0.0000 | -8.271 | 11.94 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Uses
Applications
Where Fe2Ga1Ta1 is used.
Materials science researchMagnetic alloy development
Reference
Frequently Asked Questions
Common questions about Fe2Ga1Ta1, answered from cross-validated data.
What is Fe2Ga1Ta1?
This is a ternary intermetallic compound composed of iron, gallium, and tantalum. It is primarily studied in materials science research for its structural properties and potential magnetic characteristics.
More questions
What is Fe2Ga1Ta1 used for?
Fe2Ga1Ta1 is used in materials science research and magnetic alloy development.
What is the band gap of Fe2Ga1Ta1?
Fe2Ga1Ta1 has a DFT-computed band gap of 0.06 eV across 27 reported structures.
Is Fe2Ga1Ta1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Fe2Ga1Ta1 thermodynamically stable?
Yes — Fe2Ga1Ta1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Fe2Ga1Ta1?
The lowest-energy reported polymorph of Fe2Ga1Ta1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Fe2Ga1Ta1?
The computed density of the ground-state structure of Fe2Ga1Ta1 is 11.94 g/cm³.
How many polymorphs of Fe2Ga1Ta1 are known?
27 structures of Fe2Ga1Ta1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Fe2Ga1Ta1 contain?
Fe2Ga1Ta1 contains Fe, Ga, and Ta (3 elements).
Where does the data for Fe2Ga1Ta1 come from?
Fe2Ga1Ta1 data is cross-referenced from materials_project, aflow.
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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