Sb3N5
Sb3N5 is a semimetallic antimony nitride characterized by a high degree of structural complexity and thermodynamic metastability.
About Sb3N5
Sb3N5 is a complex binary nitride composed of antimony and nitrogen. Its electronic character suggests semimetallic behavior, positioning it as a distinct material within the broader landscape of pnictogen-based compounds.
Despite its structural diversity, with numerous reported configurations in computational databases, the material remains thermodynamically metastable. This instability highlights the synthetic challenges often associated with nitrogen-rich antimony frameworks.
Key Properties
Cross-validated computational properties for Sb3N5, 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 Sb3N5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.09 | 0.5236 | -14.822 | 6.64 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.93 |
| P2 (No. 3) | Monoclinic | — | — | — | 6.70 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 5.65 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.41 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.25 |
| P3m1 (No. 156) | Trigonal | — | — | — | 7.95 |
| P1 (No. 1) | Triclinic | — | — | — | 4.74 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.06 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.58 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 8.70 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.12 |
Frequently Asked Questions
Common questions about Sb3N5, answered from cross-validated data.
What is Sb3N5?
Sb3N5 is a semimetallic antimony nitride characterized by a high degree of structural complexity and thermodynamic metastability.
What is the band gap of Sb3N5?
Is Sb3N5 a metal, semiconductor, or insulator?
Is Sb3N5 thermodynamically stable?
What is the crystal structure of Sb3N5?
What is the density of Sb3N5?
How many polymorphs of Sb3N5 are known?
What elements does Sb3N5 contain?
Where does the data for Sb3N5 come from?
How It Compares
As a unique binary nitride, Sb3N5 represents a specialized case in materials science where the interplay between antimony and nitrogen leads to a semimetallic electronic state that distinguishes it from more traditional, insulating nitride ceramics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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