SrReN3
SrReN3 is a stable, semiconducting ternary nitride material composed of strontium, rhenium, and nitrogen.
About SrReN3
SrReN3 is a complex nitride material composed of strontium, rhenium, and nitrogen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating new functional nitrides. Its stability and distinct electronic profile suggest potential utility in specialized solid-state devices.
Key Properties
Cross-validated computational properties for SrReN3, 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 SrReN3. 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 SrReN3, 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. |
|---|---|---|---|---|---|
| — | — | 2.07 | 0.0000 | -0.614 | — |
| C2/c (No. 15) | monoclinic | 2.04 | 0.0000 | -0.657 | — |
| C2/c (No. 15) | monoclinic | 2.00 | 0.0000 | -8.557 | 6.16 |
| — | — | 0.00 | 0.1431 | -0.470 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 6.04 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.98 |
| C2/c (No. 15) | monoclinic | — | — | — | 6.26 |
Applications
Where SrReN3 is used.
Frequently Asked Questions
Common questions about SrReN3, answered from cross-validated data.
What is SrReN3?
SrReN3 is a stable, semiconducting ternary nitride material composed of strontium, rhenium, and nitrogen.
What is SrReN3 used for?
What is the band gap of SrReN3?
Is SrReN3 a metal, semiconductor, or insulator?
Is SrReN3 thermodynamically stable?
What is the crystal structure of SrReN3?
How many polymorphs of SrReN3 are known?
What elements does SrReN3 contain?
Where does the data for SrReN3 come from?
How It Compares
As a unique ternary nitride, SrReN3 serves as a foundational example of how rhenium can be incorporated into stable strontium-based lattices to achieve semiconducting properties.
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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