FeTe2
FeTe2 is a stable, semimetallic iron-telluride compound used as a reference material in the study of iron-based electronic systems.
About FeTe2
FeTe2 is a thermodynamically stable iron-based compound that sits on the convex hull, indicating significant structural robustness. As a semimetallic material with a near-zero-gap electronic character, it represents a critical point of study within the broader family of iron-based chalcogenides and pnictides.
Its importance lies in its role as a fundamental building block for understanding the electronic behaviors of iron-based systems. With a rich history of structural characterization, this compound serves as a key reference for researchers investigating the interplay between magnetism and electronic structure in iron-tellurium architectures.
Key Properties
Cross-validated computational properties for FeTe2, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of FeTe2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for FeTe2, 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. |
|---|---|---|---|---|---|
| — | — | 0.17 | 0.0000 | -0.180 | — |
| Pnnm (No. 58) | orthorhombic | 0.08 | 0.0000 | -5.381 | 8.14 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0000 | -0.174 | — |
| — | — | 0.00 | 0.0005 | -0.179 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0353 | -0.139 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0449 | -5.336 | 8.38 |
| — | — | 0.00 | 0.0453 | -0.134 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0973 | -0.077 | — |
| — | — | 0.00 | 0.1147 | -0.065 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.1237 | -5.257 | 7.27 |
| — | — | 0.00 | 0.3919 | 0.212 | — |
| — | — | 0.00 | 1.4236 | 1.244 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting FeTe2.
Applications
Where FeTe2 is used.
Frequently Asked Questions
Common questions about FeTe2, answered from cross-validated data.
What is FeTe2?
FeTe2 is a stable, semimetallic iron-telluride compound used as a reference material in the study of iron-based electronic systems.
What is FeTe2 used for?
What is the band gap of FeTe2?
Is FeTe2 a metal, semiconductor, or insulator?
Is FeTe2 thermodynamically stable?
What is the crystal structure of FeTe2?
What is the density of FeTe2?
How many polymorphs of FeTe2 are known?
How is FeTe2 synthesized?
What elements does FeTe2 contain?
Where does the data for FeTe2 come from?
How It Compares
Within the iron-based superconductors class.
Within the diverse family of iron-based materials, FeTe2 is distinguished by its specific stoichiometry compared to its sibling FeSe2. While many members of this class, such as FeSe, are widely recognized for their superconducting properties, FeTe2 provides a stable, semimetallic baseline that allows researchers to isolate the effects of tellurium substitution in complex iron-based frameworks.
Related Compounds
Other Iron-Based Superconductors in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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