BiN
Bismuth nitride is a binary inorganic compound composed of bismuth and nitrogen. It is primarily studied in materials science research for its potential semiconducting properties and as a precursor for specialized thin film deposition.
BiN
Overview
Key Properties
Cross-validated computational properties for BiN, 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.
0.85 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.
0.495 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
181
3 databases, 29 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BiN, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.85 | 0.4950 | -33.321 | 9.90 |
| P21 (No. 4) | monoclinic | 0.83 | 0.4951 | -33.320 | 9.90 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.1539 | -32.662 | 11.52 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.47 |
| R3m (No. 160) | Trigonal | — | — | — | 8.35 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.26 |
| R-3m (No. 166) | Trigonal | — | — | — | 8.84 |
| P21/m (No. 11) | Monoclinic | — | — | — | 12.28 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 6.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.68 |
Uses
Applications
Where BiN is used.
Materials science researchSemiconductor developmentThin film deposition
Reference
Frequently Asked Questions
Common questions about BiN, answered from cross-validated data.
What is BiN?
Bismuth nitride is a binary inorganic compound composed of bismuth and nitrogen. It is primarily studied in materials science research for its potential semiconducting properties and as a precursor for specialized thin film deposition.
More questions
What is BiN used for?
BiN is used in materials science research, semiconductor development, and thin film deposition.
What is the band gap of BiN?
BiN has a DFT-computed band gap of 0.85 eV across 181 reported structures.
Is BiN a metal, semiconductor, or insulator?
With a band gap up to 0.85 eV it is a semiconductor.
Is BiN thermodynamically stable?
BiN has a lowest energy above hull of 0.495 eV/atom (above hull).
What is the crystal structure of BiN?
The lowest-energy reported polymorph of BiN is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of BiN?
The computed density of the ground-state structure of BiN is 9.90 g/cm³.
How many polymorphs of BiN are known?
181 structures of BiN are reported across 3 databases, spanning 29 distinct space groups.
What elements does BiN contain?
BiN contains Bi and N (2 elements).
Where does the data for BiN come from?
BiN data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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