Fe1Se2V1
Fe1Se2V1 is a metastable, semimetallic iron-based compound that serves as a research material for exploring electronic properties in complex chalcogenide systems.
About Fe1Se2V1
Fe1Se2V1 is a complex, metastable ternary compound belonging to the iron-based superconductor material class. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime which is of significant interest for fundamental condensed matter research. The compound exhibits structural complexity, supported by a diverse array of reported configurations that highlight its versatile bonding environment. As a metastable phase, it represents a specialized niche within iron-chalcogenide systems, often investigated for its unique interplay between magnetic and electronic degrees of freedom. Its role is primarily focused on experimental physics and materials discovery, where researchers examine how the inclusion of vanadium modifies the electronic landscape compared to simpler iron-chalcogenide binaries.
Key Properties
Cross-validated computational properties for Fe1Se2V1, 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 Fe1Se2V1, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.0535 | -6.383 | 6.39 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0796 | -6.357 | 6.18 |
| P1 (No. 1) | triclinic | 0.00 | 0.3175 | -6.119 | 5.83 |
| P1 (No. 1) | triclinic | 0.06 | 0.6427 | -5.794 | 1.30 |
| P1 (No. 1) | triclinic | 0.00 | 4.5065 | -1.930 | 6.33 |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Fe1Se2V1 is used.
Frequently Asked Questions
Common questions about Fe1Se2V1, answered from cross-validated data.
What is Fe1Se2V1?
Fe1Se2V1 is a metastable, semimetallic iron-based compound that serves as a research material for exploring electronic properties in complex chalcogenide systems.
What is Fe1Se2V1 used for?
What is the band gap of Fe1Se2V1?
Is Fe1Se2V1 a metal, semiconductor, or insulator?
Is Fe1Se2V1 thermodynamically stable?
What is the crystal structure of Fe1Se2V1?
What is the density of Fe1Se2V1?
How many polymorphs of Fe1Se2V1 are known?
What elements does Fe1Se2V1 contain?
Where does the data for Fe1Se2V1 come from?
How It Compares
Within the iron-based superconductors class.
Unlike the well-characterized and highly stable FeSe, which serves as a foundational archetype for iron-based superconductivity, Fe1Se2V1 exists as a more complex and metastable variant. While materials like FeSe2 and FeTe2 are often studied for their distinct structural motifs, Fe1Se2V1 incorporates vanadium to tune the electronic density near the Fermi level, distinguishing it from the more common iron-arsenide or iron-chalcogenide binaries.
Related Compounds
Other Iron-Based Superconductors in the database.
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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