FeNbTc2
FeNbTc2 is a semiconducting ternary compound consisting of iron, niobium, and technetium that is primarily studied for its structural and electronic properties.
About FeNbTc2
FeNbTc2 is a complex ternary compound composed of iron, niobium, and technetium. As a semiconducting material, it represents a unique intersection of transition metals that has been documented across multiple structural databases. Its electronic nature suggests potential utility in specialized solid-state physics research where specific charge transport properties are required. Due to its position relative to the thermodynamic hull, it is considered a metastable phase, which highlights the importance of precise synthesis conditions for its stabilization. This compound serves as an intriguing subject for computational studies investigating the stability and electronic behavior of complex metallic systems.
Key Properties
Cross-validated computational properties for FeNbTc2, 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.
Reported Structures
Lowest-energy structures reported for FeNbTc2, 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 | 0.26 | 3.9671 | -5.939 | 0.73 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 9.60 |
Applications
Where FeNbTc2 is used.
Frequently Asked Questions
Common questions about FeNbTc2, answered from cross-validated data.
What is FeNbTc2?
FeNbTc2 is a semiconducting ternary compound consisting of iron, niobium, and technetium that is primarily studied for its structural and electronic properties.
What is FeNbTc2 used for?
What is the band gap of FeNbTc2?
Is FeNbTc2 a metal, semiconductor, or insulator?
Is FeNbTc2 thermodynamically stable?
What is the crystal structure of FeNbTc2?
What is the density of FeNbTc2?
How many polymorphs of FeNbTc2 are known?
What elements does FeNbTc2 contain?
Where does the data for FeNbTc2 come from?
How It Compares
As a unique ternary phase within its specific elemental combination, FeNbTc2 occupies a distinct niche in materials science. Unlike more common binary alloys, this compound demonstrates the complexity inherent in multi-element systems where thermodynamic stability is sensitive to structural arrangement. It serves as a primary reference point for researchers exploring the synthesis potential of iron-niobium-technetium materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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