SrCeN2
Strontium cerium nitride is a ternary nitride material characterized by its specific crystalline structure. It is primarily utilized in materials science research as a precursor or model compound for investigating the properties of rare-earth metal nitrides.
CeNSr
Overview
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.
0.30–1.27 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
3 databases, 6 space groups
Crystallography
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 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0398 | -17.445 | 6.04 |
| C2/m (No. 12) | monoclinic | 0.83 | 0.0402 | -17.445 | 6.04 |
| I41/amd (No. 141) | tetragonal | 0.81 | 0.0402 | -17.445 | 6.04 |
| P4/mmm (No. 123) | tetragonal | 0.30 | 0.2341 | -17.251 | 6.17 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.11 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.24 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.18 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.04 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.26 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.14 |
| R-3m (No. 166) | — | — | — | — | — |
Uses
Applications
Where SrCeN2 is used.
Materials science researchSolid-state chemistry studiesPrecursor for advanced ceramic synthesis
Reference
Frequently Asked Questions
Common questions about SrCeN2, answered from cross-validated data.
What is SrCeN2?
Strontium cerium nitride is a ternary nitride material characterized by its specific crystalline structure. It is primarily utilized in materials science research as a precursor or model compound for investigating the properties of rare-earth metal nitrides.
More questions
What is SrCeN2 used for?
SrCeN2 is used in materials science research, solid-state chemistry studies, and precursor for advanced ceramic synthesis.
What is the band gap of SrCeN2?
SrCeN2 has a DFT-computed band gap of 0.30–1.27 eV across 15 reported structures.
Is SrCeN2 a metal, semiconductor, or insulator?
With a band gap up to 1.27 eV it is a semiconductor.
Is SrCeN2 thermodynamically stable?
Yes — SrCeN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrCeN2?
The lowest-energy reported polymorph of SrCeN2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of SrCeN2?
The computed density of the ground-state structure of SrCeN2 is 6.18 g/cm³.
How many polymorphs of SrCeN2 are known?
15 structures of SrCeN2 are reported across 3 databases, spanning 6 distinct space groups.
What elements does SrCeN2 contain?
SrCeN2 contains Ce, N, and Sr (3 elements).
Where does the data for SrCeN2 come from?
SrCeN2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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