VPb2N3
VPb2N3 is a metastable, semiconducting ternary nitride containing vanadium, lead, and nitrogen.
About VPb2N3
VPb2N3 is a complex ternary nitride composed of vanadium, lead, and nitrogen. As a semiconducting material, it represents a unique intersection of transition metal and heavy-metal chemistry, offering a distinct electronic structure that warrants further investigation for potential optoelectronic or specialized sensing roles.
Despite its intriguing composition, VPb2N3 is characterized as being above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures indicates that while it may be difficult to synthesize under standard conditions, it remains a subject of interest for researchers exploring unconventional nitride architectures.
Key Properties
Cross-validated computational properties for VPb2N3, 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 VPb2N3, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.49 | 0.1721 | -25.953 | 7.23 |
| Cmce (No. 64) | orthorhombic | 1.14 | 0.2479 | -25.877 | 8.25 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.58 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.23 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.38 |
Applications
Where VPb2N3 is used.
Frequently Asked Questions
Common questions about VPb2N3, answered from cross-validated data.
What is VPb2N3?
VPb2N3 is a metastable, semiconducting ternary nitride containing vanadium, lead, and nitrogen.
What is VPb2N3 used for?
What is the band gap of VPb2N3?
Is VPb2N3 a metal, semiconductor, or insulator?
Is VPb2N3 thermodynamically stable?
What is the crystal structure of VPb2N3?
What is the density of VPb2N3?
How many polymorphs of VPb2N3 are known?
What elements does VPb2N3 contain?
Where does the data for VPb2N3 come from?
How It Compares
As a ternary nitride with limited classification, VPb2N3 occupies a niche position in materials science. Unlike more common binary nitrides, its complex stoichiometry involving heavy lead atoms and transition metal vanadium makes it a specialized candidate for studies into metastable phase stabilization and the synthesis of exotic semiconducting materials.
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.
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