Fe1Tc1Zr2
Fe1Tc1Zr2 is a thermodynamically stable, semimetallic intermetallic compound known for its structural variety.
About Fe1Tc1Zr2
Fe1Tc1Zr2 is a complex intermetallic compound characterized by its thermodynamically stable nature, as indicated by its position on the convex hull. Its electronic structure exhibits a near-zero-gap semimetallic behavior, which makes it an intriguing subject for fundamental studies in condensed matter physics. The material is notable for its structural diversity, with numerous reported configurations across databases. This structural flexibility suggests potential for tuning its properties through synthesis conditions, positioning it as a significant candidate for experimental investigation into advanced metallic systems.
Key Properties
Cross-validated computational properties for Fe1Tc1Zr2, 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 Fe1Tc1Zr2, 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 | 0.00 | 0.0000 | -9.260 | 8.35 |
| Immm (No. 71) | orthorhombic | 0.06 | 3.6723 | -5.588 | 0.69 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Fe1Tc1Zr2, answered from cross-validated data.
What is Fe1Tc1Zr2?
Fe1Tc1Zr2 is a thermodynamically stable, semimetallic intermetallic compound known for its structural variety.
What is the band gap of Fe1Tc1Zr2?
Is Fe1Tc1Zr2 a metal, semiconductor, or insulator?
Is Fe1Tc1Zr2 thermodynamically stable?
What is the crystal structure of Fe1Tc1Zr2?
What is the density of Fe1Tc1Zr2?
How many polymorphs of Fe1Tc1Zr2 are known?
What elements does Fe1Tc1Zr2 contain?
Where does the data for Fe1Tc1Zr2 come from?
How It Compares
As a unique intermetallic phase, Fe1Tc1Zr2 serves as a foundational example of stability within its specific compositional space. While many similar ternary systems struggle with phase separation, this compound maintains a robust structural integrity that distinguishes it as a reliable reference point for future research into iron-technetium-zirconium alloys.
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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