Nb3Se5Br7
Nb3Se5Br7 is a semiconducting ternary compound consisting of niobium, selenium, and bromine that is considered a viable candidate for experimental synthesis.
About Nb3Se5Br7
Nb3Se5Br7 is a complex inorganic compound composed of niobium, selenium, and bromine. Its semiconducting nature makes it an intriguing subject for electronic materials science, where the interplay of transition metals and chalcogen-halide frameworks often leads to unique charge-carrier behaviors.
This compound is characterized as a near-hull material, indicating that it is thermodynamically close to the ground state and likely synthesizable under controlled laboratory conditions. Its existence across multiple structural databases highlights its potential as a stable phase for further experimental characterization.
Key Properties
Cross-validated computational properties for Nb3Se5Br7, aggregated across 3 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 Nb3Se5Br7, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.97 | 0.0084 | -5.138 | 4.66 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.24 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.36 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.29 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Nb3Se5Br7 is used.
Frequently Asked Questions
Common questions about Nb3Se5Br7, answered from cross-validated data.
What is Nb3Se5Br7?
Nb3Se5Br7 is a semiconducting ternary compound consisting of niobium, selenium, and bromine that is considered a viable candidate for experimental synthesis.
What is Nb3Se5Br7 used for?
What is the band gap of Nb3Se5Br7?
Is Nb3Se5Br7 a metal, semiconductor, or insulator?
Is Nb3Se5Br7 thermodynamically stable?
What is the crystal structure of Nb3Se5Br7?
What is the density of Nb3Se5Br7?
How many polymorphs of Nb3Se5Br7 are known?
What elements does Nb3Se5Br7 contain?
Where does the data for Nb3Se5Br7 come from?
How It Compares
As a unique member of the niobium-selenium-bromine system, Nb3Se5Br7 represents a distinct structural arrangement within the broader family of transition metal chalcogen-halides. It serves as a foundational example for exploring how varying the ratios of metal to non-metal components influences the electronic properties of these complex ternary compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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