Ga2N2
Ga2N2 has a DFT band gap of 0.02–1.73 eV across 73 reported structures in 8 space groups; its lowest-energy polymorph is hexagonal (P63mc (No. 186)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ga2N2, aggregated across 4 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.
0.02–1.73 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.
73
4 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga2N2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.73 | 0.0000 | -10.956 | 6.08 |
| F-43m (No. 216) | cubic | 1.57 | 0.0067 | -10.949 | 6.07 |
| P63mc (No. 186) | hexagonal | 0.83 | 0.2885 | -10.667 | 6.01 |
| P63/mmc (No. 194) | hexagonal | 0.98 | 0.3536 | -10.602 | 3.69 |
| I4mm (No. 107) | tetragonal | 0.19 | 0.4256 | -10.530 | 6.66 |
| Fm-3m (No. 225) | cubic | 0.42 | 0.4790 | -10.477 | 7.14 |
| P1 (No. 1) | triclinic | 0.09 | 0.6177 | -10.338 | 4.62 |
| P1 (No. 1) | triclinic | 0.16 | 0.6313 | -10.324 | 4.69 |
| P1 (No. 1) | triclinic | 0.00 | 0.6489 | -10.307 | 4.23 |
| P1 (No. 1) | triclinic | 0.03 | 0.6491 | -10.307 | 4.43 |
| P1 (No. 1) | triclinic | 0.00 | 0.6584 | -10.297 | 4.50 |
| P1 (No. 1) | triclinic | 0.00 | 0.6774 | -10.278 | 4.73 |
Reference
Frequently Asked Questions
Common questions about Ga2N2, answered from cross-validated data.
What is the band gap of Ga2N2?
Ga2N2 has a DFT-computed band gap of 0.02–1.73 eV across 73 reported structures.
More questions
Is Ga2N2 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is Ga2N2 thermodynamically stable?
Yes — Ga2N2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga2N2?
The lowest-energy reported polymorph of Ga2N2 is hexagonal symmetry, space group P63mc (No. 186).
What is the density of Ga2N2?
The computed density of the ground-state structure of Ga2N2 is 6.08 g/cm³.
How many polymorphs of Ga2N2 are known?
73 structures of Ga2N2 are reported across 4 databases, spanning 8 distinct space groups.
What elements does Ga2N2 contain?
Ga2N2 contains Ga and N (2 elements).
Where does the data for Ga2N2 come from?
Ga2N2 data is cross-referenced from materials_project.
Explore
Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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