B32N32
B32N32 has a DFT band gap of 0.05–5.77 eV across 34 reported structures in 15 space groups; its lowest-energy polymorph is hexagonal (P-6m2 (No. 187)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for B32N32, 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.
0.05–5.77 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
34
3 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B32N32, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 4.37 | 0.0000 | -9.651 | 2.25 |
| R3m (No. 160) | trigonal | 4.39 | 0.0001 | -9.650 | 2.25 |
| Fmm2 (No. 42) | orthorhombic | 3.25 | 0.0013 | -9.649 | 2.17 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0017 | -9.649 | 2.22 |
| P63/mmc (No. 194) | hexagonal | 4.27 | 0.0057 | -9.645 | 1.96 |
| P63/mmc (No. 194) | hexagonal | 3.96 | 0.0077 | -9.643 | 2.06 |
| F-43m (No. 216) | cubic | 4.45 | 0.0774 | -9.573 | 3.46 |
| P63mc (No. 186) | hexagonal | 5.20 | 0.0947 | -9.556 | 3.45 |
| P1 (No. 1) | triclinic | 2.87 | 0.0982 | -9.552 | 2.50 |
| Cm (No. 8) | monoclinic | 1.57 | 0.1379 | -9.513 | 2.28 |
| P42/mnm (No. 136) | tetragonal | 4.78 | 0.1792 | -9.471 | 3.30 |
| Cc (No. 9) | monoclinic | 3.58 | 0.2194 | -9.431 | 2.54 |
Reference
Frequently Asked Questions
Common questions about B32N32, answered from cross-validated data.
What is the band gap of B32N32?
B32N32 has a DFT-computed band gap of 0.05–5.77 eV across 34 reported structures.
More questions
Is B32N32 a metal, semiconductor, or insulator?
With a wide band gap up to 5.77 eV it is an insulator / wide-band-gap material.
Is B32N32 thermodynamically stable?
Yes — B32N32 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B32N32?
The lowest-energy reported polymorph of B32N32 is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of B32N32?
The computed density of the ground-state structure of B32N32 is 2.25 g/cm³.
How many polymorphs of B32N32 are known?
34 structures of B32N32 are reported across 3 databases, spanning 15 distinct space groups.
What elements does B32N32 contain?
B32N32 contains B and N (2 elements).
Where does the data for B32N32 come from?
B32N32 data is cross-referenced from materials_project.
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Related Compounds
Other Nitride 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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