FeReTi2
FeReTi2 is a semiconducting ternary compound containing iron, rhenium, and titanium that exists in a metastable state.
About FeReTi2
FeReTi2 is a complex ternary compound composed of iron, rhenium, and titanium. As a semiconducting material, it represents a unique intersection of transition metal chemistry, offering a distinct electronic profile that distinguishes it from simpler binary alloys. Its existence in multiple reported structures highlights an ongoing interest in mapping its potential configurations within materials science databases. Because it resides above the thermodynamic hull, FeReTi2 is considered a metastable phase, suggesting that its synthesis and preservation require specific experimental conditions. This instability is a key feature for researchers investigating non-equilibrium material states and the kinetics of phase formation in transition metal systems.
Key Properties
Cross-validated computational properties for FeReTi2, 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.
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 FeReTi2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.23 | 3.9332 | -5.653 | 0.91 |
| — | — | — | — | — | 9.91 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where FeReTi2 is used.
Frequently Asked Questions
Common questions about FeReTi2, answered from cross-validated data.
What is FeReTi2?
FeReTi2 is a semiconducting ternary compound containing iron, rhenium, and titanium that exists in a metastable state.
What is FeReTi2 used for?
What is the band gap of FeReTi2?
Is FeReTi2 a metal, semiconductor, or insulator?
Is FeReTi2 thermodynamically stable?
What is the crystal structure of FeReTi2?
What is the density of FeReTi2?
How many polymorphs of FeReTi2 are known?
What elements does FeReTi2 contain?
Where does the data for FeReTi2 come from?
How It Compares
As a specialized ternary compound, FeReTi2 serves as a unique case study in transition metal complexity. Without direct structural siblings in its immediate class, it stands as a singular example of how iron, rhenium, and titanium can be integrated into a semiconducting lattice, providing a benchmark for future computational studies on metastable ternary phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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