ZrGeN2
ZrGeN2 is a semiconducting ternary nitride compound belonging to the MAX phase family that exists as a metastable structure.
About ZrGeN2
ZrGeN2 is a ternary nitride compound that belongs to the broader class of MAX-like phases. It exhibits semiconducting electronic behavior, positioning it as an interesting candidate for specialized electronic or optoelectronic research applications where specific band structures are required. The material is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures highlights the complex landscape of zirconium-germanium-nitrogen chemistry and the challenges associated with synthesizing stable, high-purity nitride phases.
Key Properties
Cross-validated computational properties for ZrGeN2, 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 ZrGeN2, 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 | 1.42 | 0.2699 | -14.587 | 5.19 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.95 |
Applications
Where ZrGeN2 is used.
Frequently Asked Questions
Common questions about ZrGeN2, answered from cross-validated data.
What is ZrGeN2?
ZrGeN2 is a semiconducting ternary nitride compound belonging to the MAX phase family that exists as a metastable structure.
What is ZrGeN2 used for?
What is the band gap of ZrGeN2?
Is ZrGeN2 a metal, semiconductor, or insulator?
Is ZrGeN2 thermodynamically stable?
What is the crystal structure of ZrGeN2?
What is the density of ZrGeN2?
How many polymorphs of ZrGeN2 are known?
What elements does ZrGeN2 contain?
Where does the data for ZrGeN2 come from?
How It Compares
Within the max phases class.
Within the diverse family of MAX phases and related nitrides, ZrGeN2 shares structural motifs with compounds like ZrSnN2 and ZrGaN. While many members of this class are known for their metallic conductivity and exceptional mechanical toughness, ZrGeN2 is distinguished by its semiconducting nature, setting it apart from more traditional metallic MAX phases like Nb3Al2N.
Related Compounds
Other MAX Phases in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze ZrGeN2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →