Fe4Ga12
This intermetallic compound consists of iron and gallium atoms arranged in a specific crystalline structure. It is primarily studied in materials science research for its unique magnetic and structural properties.
FeGa
Overview
Key Properties
Cross-validated computational properties for Fe4Ga12, aggregated across 3 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.
0.22 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Fe4Ga12, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.22 | 0.0000 | -4.627 | 7.08 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| — | — | — | — | — | 6.97 |
| — | — | — | — | — | 6.85 |
Uses
Applications
Where Fe4Ga12 is used.
Materials science researchMagnetic property studiesSolid-state physics investigations
Reference
Frequently Asked Questions
Common questions about Fe4Ga12, answered from cross-validated data.
What is Fe4Ga12?
This intermetallic compound consists of iron and gallium atoms arranged in a specific crystalline structure. It is primarily studied in materials science research for its unique magnetic and structural properties.
More questions
What is Fe4Ga12 used for?
Fe4Ga12 is used in materials science research, magnetic property studies, and solid-state physics investigations.
What is the band gap of Fe4Ga12?
Fe4Ga12 has a DFT-computed band gap of 0.22 eV across 14 reported structures.
Is Fe4Ga12 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is Fe4Ga12 thermodynamically stable?
Yes — Fe4Ga12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Fe4Ga12?
The lowest-energy reported polymorph of Fe4Ga12 is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of Fe4Ga12?
The computed density of the ground-state structure of Fe4Ga12 is 7.08 g/cm³.
How many polymorphs of Fe4Ga12 are known?
14 structures of Fe4Ga12 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Fe4Ga12 contain?
Fe4Ga12 contains Fe and Ga (2 elements).
Where does the data for Fe4Ga12 come from?
Fe4Ga12 data is cross-referenced from materials_project, aflow, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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