SbN
SbN is a semiconducting binary compound formed from antimony and nitrogen that is primarily studied for its complex structural landscape.
About SbN
SbN is a binary compound composed of antimony and nitrogen that exhibits semiconducting electronic properties. Its existence is characterized by a significant body of structural data, reflecting extensive computational interest in the potential configurations of this material system. Due to its position relative to the thermodynamic ground state, SbN is considered a metastable phase. This status makes it a subject of ongoing investigation for researchers focused on high-pressure synthesis or thin-film deposition techniques where non-equilibrium pathways can be accessed.
Key Properties
Cross-validated computational properties for SbN, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SbN. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SbN, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.07 | 0.2028 | -17.215 | 2.76 |
| P1 (No. 1) | triclinic | 0.17 | 0.2069 | -17.211 | 2.80 |
| P1 (No. 1) | triclinic | 0.30 | 0.2121 | -17.205 | 2.87 |
| P1 (No. 1) | triclinic | 1.11 | 0.2229 | -17.195 | 5.80 |
| P1 (No. 1) | triclinic | 0.30 | 0.2331 | -17.184 | 2.80 |
| P1 (No. 1) | triclinic | 0.09 | 0.2434 | -17.174 | 2.83 |
| Pca21 (No. 29) | orthorhombic | 1.74 | 0.2600 | -17.157 | 5.46 |
| Pca21 (No. 29) | orthorhombic | 1.66 | 0.3014 | 0.294 | — |
| P21 (No. 4) | monoclinic | 1.46 | 0.3147 | -17.103 | 5.66 |
| P21 (No. 4) | monoclinic | 1.10 | 0.3384 | 0.331 | — |
| P21 (No. 4) | monoclinic | 1.10 | 0.3384 | 0.331 | — |
| — | — | 0.00 | 0.6323 | 0.632 | — |
Frequently Asked Questions
Common questions about SbN, answered from cross-validated data.
What is SbN?
SbN is a semiconducting binary compound formed from antimony and nitrogen that is primarily studied for its complex structural landscape.
What is the band gap of SbN?
Is SbN a metal, semiconductor, or insulator?
Is SbN thermodynamically stable?
What is the crystal structure of SbN?
What is the density of SbN?
How many polymorphs of SbN are known?
What elements does SbN contain?
Where does the data for SbN come from?
How It Compares
As a unique binary nitride of a heavy pnictogen, SbN serves as a distinct case study for understanding the structural diversity and bonding limitations of nitrogen-based compounds. Without direct structural analogs in its immediate class, it stands as a singular reference point for exploring the stability limits of antimony-nitrogen frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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