Ga3N
Ga3N has a DFT band gap of Metallic / not reported across 28 reported structures in 12 space groups; its lowest-energy polymorph is Monoclinic (P2 (No. 3)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ga3N, aggregated across 2 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.
Metallic / not reported
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.
—
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.
Not assessed
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
2 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga3N, 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. |
|---|---|---|---|---|---|
| P2 (No. 3) | Monoclinic | — | — | — | 6.39 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.01 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.05 |
| P1 (No. 1) | Triclinic | — | — | — | 8.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.42 |
| P-31m (No. 162) | Trigonal | — | — | — | 6.27 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.74 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.26 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.80 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.19 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.81 |
Reference
Frequently Asked Questions
Common questions about Ga3N, answered from cross-validated data.
What is the band gap of Ga3N?
Ga3N is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Ga3N a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
What is the crystal structure of Ga3N?
The lowest-energy reported polymorph of Ga3N is Monoclinic symmetry, space group P2 (No. 3).
What is the density of Ga3N?
The computed density of the ground-state structure of Ga3N is 6.39 g/cm³.
How many polymorphs of Ga3N are known?
28 structures of Ga3N are reported across 2 databases, spanning 12 distinct space groups.
What elements does Ga3N contain?
Ga3N contains Ga and N (2 elements).
Where does the data for Ga3N come from?
Ga3N data is cross-referenced from mpaloe, jarvis.
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Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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