Nb5Se4
Nb5Se4 is a metallic transition-metal chalcogenide that exists in a stable, synthesizable state.
About Nb5Se4
Nb5Se4 is a metallic transition-metal chalcogenide that exhibits distinct electronic properties characteristic of its class. Its composition and structural arrangement reflect a stable configuration that makes it a subject of interest for fundamental condensed matter studies.
As a near-hull material, it is considered highly likely to be synthesizable in laboratory settings. Its metallic nature distinguishes it from many of its semiconducting counterparts, providing a unique platform for exploring electron transport and related physical phenomena.
Key Properties
Cross-validated computational properties for Nb5Se4, 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.
Reported Structures
Lowest-energy structures reported for Nb5Se4, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 0.00 | 0.0175 | -20.869 | 7.50 |
| I4/m (No. 87) | — | — | — | — | — |
| I4/m (No. 87) | Tetragonal | — | — | — | 7.48 |
| — | — | — | — | — | 7.51 |
| I4/m (No. 87) | — | — | — | — | — |
| I4/m (No. 87) | Tetragonal | — | — | — | 7.56 |
| I4/m (No. 87) | Tetragonal | — | — | — | 7.53 |
| I4/m (No. 87) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
Applications
Where Nb5Se4 is used.
Frequently Asked Questions
Common questions about Nb5Se4, answered from cross-validated data.
What is Nb5Se4?
Nb5Se4 is a metallic transition-metal chalcogenide that exists in a stable, synthesizable state.
What is Nb5Se4 used for?
What is the band gap of Nb5Se4?
Is Nb5Se4 a metal, semiconductor, or insulator?
Is Nb5Se4 thermodynamically stable?
What is the crystal structure of Nb5Se4?
What is the density of Nb5Se4?
How many polymorphs of Nb5Se4 are known?
What elements does Nb5Se4 contain?
Where does the data for Nb5Se4 come from?
How It Compares
Within the transition-metal dichalcogenides class.
Unlike the widely utilized semiconducting transition-metal dichalcogenides such as MoSe2, which are prized for their optoelectronic applications, Nb5Se4 is defined by its metallic electronic character. While many class members are studied for their potential in thin-film transistors, this compound offers a different structural profile that positions it as a specialized candidate for research into metallic phases within the chalcogenide family.
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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