Sr3BiN
Sr3BiN is a thermodynamically stable semiconducting ternary nitride compound.
About Sr3BiN
Sr3BiN is a stable ternary nitride compound characterized by its semiconducting electronic nature. As a material residing on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental materials research and solid-state chemistry investigations. Its unique composition of strontium, bismuth, and nitrogen allows for distinct electronic behavior that differentiates it from simpler binary nitrides. The compound has been documented across multiple structural databases, reflecting its importance in the study of complex nitride phases. Its stability and semiconducting properties suggest potential utility in specialized electronic or optoelectronic applications where precise control over charge carrier behavior is required.
Key Properties
Cross-validated computational properties for Sr3BiN, 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 Sr3BiN. 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 Sr3BiN, 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 | -0.915 | — |
| Pm-3m (No. 221) | cubic | 0.31 | 0.0000 | -1.035 | — |
| Pm-3m (No. 221) | cubic | 0.26 | 0.0000 | -23.657 | 5.62 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.5657 | -22.091 | 3.34 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.6785 | 0.644 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 5.62 |
| Pm-3m (No. 221) | cubic | — | — | — | 5.64 |
| Pm-3m (No. 221) | cubic | — | — | — | 5.54 |
Applications
Where Sr3BiN is used.
Frequently Asked Questions
Common questions about Sr3BiN, answered from cross-validated data.
What is Sr3BiN?
Sr3BiN is a thermodynamically stable semiconducting ternary nitride compound.
What is Sr3BiN used for?
What is the band gap of Sr3BiN?
Is Sr3BiN a metal, semiconductor, or insulator?
Is Sr3BiN thermodynamically stable?
What is the crystal structure of Sr3BiN?
How many polymorphs of Sr3BiN are known?
What elements does Sr3BiN contain?
Where does the data for Sr3BiN come from?
How It Compares
As a unique ternary nitride, Sr3BiN occupies a distinct position in materials science, serving as a representative example of complex strontium-based pnictide-nitrides that offer tunable electronic properties beyond those found in conventional binary semiconductors.
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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