SrCeN2
SrCeN2 is a thermodynamically stable semiconducting nitride compound containing strontium and cerium.
About SrCeN2
SrCeN2 is a semiconducting ternary nitride composed of strontium, cerium, and nitrogen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that has garnered significant interest in materials databases for its predictable formation and electronic behavior.
Its semiconducting nature makes it a subject of study for potential optoelectronic or specialized electronic applications. The compound is characterized by a well-defined structural profile, supported by multiple reported entries across scientific databases, highlighting its importance in the exploration of rare-earth-containing nitrides.
Key Properties
Cross-validated computational properties for SrCeN2, 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 SrCeN2. 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 SrCeN2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.27 | 0.0000 | -17.485 | 6.18 |
| R-3m (No. 166) | trigonal | 1.25 | 0.0000 | -1.406 | — |
| C2 (No. 5) | monoclinic | 0.00 | 0.0398 | -17.445 | 6.04 |
| C2/m (No. 12) | monoclinic | 0.84 | 0.0402 | -17.445 | 6.04 |
| I41/amd (No. 141) | tetragonal | 0.81 | 0.0402 | -17.445 | 6.04 |
| Cc (No. 9) | monoclinic | 1.02 | 0.0408 | -1.365 | — |
| I41/amd (No. 141) | tetragonal | 0.82 | 0.0413 | -1.364 | — |
| — | — | 0.00 | 0.1765 | -0.795 | — |
| P4/mmm (No. 123) | tetragonal | 0.35 | 0.1835 | -1.222 | — |
| P4/mmm (No. 123) | tetragonal | 0.30 | 0.2341 | -17.251 | 6.17 |
| I41/amd (No. 141) | tetragonal | — | — | — | 6.26 |
| I41/amd (No. 141) | tetragonal | — | — | — | 6.14 |
Applications
Where SrCeN2 is used.
Frequently Asked Questions
Common questions about SrCeN2, answered from cross-validated data.
What is SrCeN2?
SrCeN2 is a thermodynamically stable semiconducting nitride compound containing strontium and cerium.
What is SrCeN2 used for?
What is the band gap of SrCeN2?
Is SrCeN2 a metal, semiconductor, or insulator?
Is SrCeN2 thermodynamically stable?
What is the crystal structure of SrCeN2?
What is the density of SrCeN2?
How many polymorphs of SrCeN2 are known?
What elements does SrCeN2 contain?
Where does the data for SrCeN2 come from?
How It Compares
As a distinct ternary nitride, SrCeN2 occupies a unique position in materials research. Without direct structural siblings in this specific class, it serves as a foundational example of how alkaline earth and lanthanide elements can combine to form stable, semiconducting frameworks, providing a benchmark for future investigations into similar multi-element nitride systems.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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