Sr3SbN
Sr3SbN is a thermodynamically stable semiconducting ternary compound consisting of strontium, antimony, and nitrogen.
About Sr3SbN
Sr3SbN is a complex ternary compound composed of strontium, antimony, and nitrogen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic investigations.
The material is characterized by significant structural diversity, with multiple reported configurations across various databases. This structural richness suggests that Sr3SbN can adopt different symmetries, providing researchers with a versatile platform to study how atomic positioning influences the fundamental electronic properties of nitrogen-containing intermetallics.
Key Properties
Cross-validated computational properties for Sr3SbN, 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 Sr3SbN. 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 Sr3SbN, 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. |
|---|---|---|---|---|---|
| — | — | 0.43 | 0.0000 | -0.969 | — |
| Pm-3m (No. 221) | cubic | 0.31 | 0.0000 | -1.092 | — |
| Pm-3m (No. 221) | cubic | 0.26 | 0.0000 | -4.498 | 4.72 |
| — | — | 0.85 | 0.0198 | -0.950 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 1.4830 | -3.015 | 2.75 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.6095 | 0.518 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 4.72 |
| Pm-3m (No. 221) | cubic | — | — | — | 4.66 |
| Pm-3m (No. 221) | cubic | — | — | — | 4.74 |
Applications
Where Sr3SbN is used.
Frequently Asked Questions
Common questions about Sr3SbN, answered from cross-validated data.
What is Sr3SbN?
Sr3SbN is a thermodynamically stable semiconducting ternary compound consisting of strontium, antimony, and nitrogen.
What is Sr3SbN used for?
What is the band gap of Sr3SbN?
Is Sr3SbN a metal, semiconductor, or insulator?
Is Sr3SbN thermodynamically stable?
What is the crystal structure of Sr3SbN?
How many polymorphs of Sr3SbN are known?
What elements does Sr3SbN contain?
Where does the data for Sr3SbN come from?
How It Compares
As a unique ternary phase, Sr3SbN occupies a distinct position in materials research, serving as a primary example of stable strontium-antimony-nitrogen chemistry. Unlike more common binary nitrides, this compound demonstrates how the integration of heavy pnictogens into alkaline-earth frameworks can yield stable, semiconducting electronic behaviors.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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