BiS2
Bismuth disulfide is a binary inorganic compound composed of bismuth and sulfur. It is primarily studied in the field of condensed matter physics for its structural properties and potential electronic behavior in thin-film research.
BiS
Overview
Key Properties
Cross-validated computational properties for BiS2, 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.
1.07 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.
0.018 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
110
3 databases, 26 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BiS2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.07 | 0.0185 | -25.184 | 6.08 |
| I-42d (No. 122) | tetragonal | 0.00 | 0.4418 | -24.760 | 4.02 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.51 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.34 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.57 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.49 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.67 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.76 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.26 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.07 |
Uses
Applications
Where BiS2 is used.
Semiconductor researchMaterials science studiesThin-film deposition experiments
Reference
Frequently Asked Questions
Common questions about BiS2, answered from cross-validated data.
What is BiS2?
Bismuth disulfide is a binary inorganic compound composed of bismuth and sulfur. It is primarily studied in the field of condensed matter physics for its structural properties and potential electronic behavior in thin-film research.
More questions
What is BiS2 used for?
BiS2 is used in semiconductor research, materials science studies, and thin-film deposition experiments.
What is the band gap of BiS2?
BiS2 has a DFT-computed band gap of 1.07 eV across 110 reported structures.
Is BiS2 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is BiS2 thermodynamically stable?
BiS2 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
What is the crystal structure of BiS2?
The lowest-energy reported polymorph of BiS2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of BiS2?
The computed density of the ground-state structure of BiS2 is 6.08 g/cm³.
How many polymorphs of BiS2 are known?
110 structures of BiS2 are reported across 3 databases, spanning 26 distinct space groups.
What elements does BiS2 contain?
BiS2 contains Bi and S (2 elements).
Where does the data for BiS2 come from?
BiS2 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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