SrZrN2
SrZrN2 is a stable, semiconducting ternary nitride material.
About SrZrN2
SrZrN2 is a distinct ternary nitride compound that exhibits semiconducting electronic characteristics. As a thermodynamically stable phase residing on the convex hull, it represents a robust material configuration within the nitrogen-based transition metal system.
Its structural integrity and electronic profile make it a subject of interest for researchers investigating new functional nitrides. The compound is characterized by a well-defined structural arrangement, supported by multiple reported entries across major materials databases.
Key Properties
Cross-validated computational properties for SrZrN2, 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.
Reported Structures
Lowest-energy structures reported for SrZrN2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.23 | 0.0000 | -15.628 | 5.03 |
| R-3m (No. 166) | trigonal | 0.23 | 0.0073 | -15.621 | 5.87 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.93 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.16 |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.78 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.02 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.00 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.88 |
Applications
Where SrZrN2 is used.
Frequently Asked Questions
Common questions about SrZrN2, answered from cross-validated data.
What is SrZrN2?
SrZrN2 is a stable, semiconducting ternary nitride material.
What is SrZrN2 used for?
What is the band gap of SrZrN2?
Is SrZrN2 a metal, semiconductor, or insulator?
Is SrZrN2 thermodynamically stable?
What is the crystal structure of SrZrN2?
What is the density of SrZrN2?
How many polymorphs of SrZrN2 are known?
What elements does SrZrN2 contain?
Where does the data for SrZrN2 come from?
How It Compares
As a unique ternary nitride, SrZrN2 serves as a foundational example of stable nitrogen-based semiconductors, providing a benchmark for exploring the electronic and structural diversity of similar metal-nitride systems.
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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