BiB
Bismuth boride is a binary inorganic compound composed of bismuth and boron. It is primarily studied for its potential properties in materials science research and specialized electronic applications.
BBi
Overview
Key Properties
Cross-validated computational properties for BiB, 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.
0.09 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.
0.821 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.
111
3 databases, 24 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BiB, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.09 | 0.8213 | -32.103 | 8.57 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.8356 | -32.089 | 8.62 |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.12 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 10.99 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 8.26 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 8.98 |
| P2/c (No. 13) | Monoclinic | — | — | — | 12.55 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 7.68 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 9.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.11 |
Uses
Applications
Where BiB is used.
Materials science researchSemiconductor development studies
Reference
Frequently Asked Questions
Common questions about BiB, answered from cross-validated data.
What is BiB?
Bismuth boride is a binary inorganic compound composed of bismuth and boron. It is primarily studied for its potential properties in materials science research and specialized electronic applications.
More questions
What is BiB used for?
BiB is used in materials science research and semiconductor development studies.
What is the band gap of BiB?
BiB has a DFT-computed band gap of 0.09 eV across 111 reported structures.
Is BiB a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is BiB thermodynamically stable?
BiB has a lowest energy above hull of 0.821 eV/atom (above hull).
What is the crystal structure of BiB?
The lowest-energy reported polymorph of BiB is cubic symmetry, space group F-43m (No. 216).
What is the density of BiB?
The computed density of the ground-state structure of BiB is 8.57 g/cm³.
How many polymorphs of BiB are known?
111 structures of BiB are reported across 3 databases, spanning 24 distinct space groups.
What elements does BiB contain?
BiB contains B and Bi (2 elements).
Where does the data for BiB come from?
BiB 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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