Cs3Bi
triceasium bismuthide
This compound is a binary intermetallic material composed of cesium and bismuth. It is primarily studied in condensed matter physics for its unique electronic properties and potential as a topological material.
BiCs
Overview
Key Properties
Cross-validated computational properties for Cs3Bi, 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.
0.18 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.
19
2 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs3Bi, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.18 | 0.0000 | -33.923 | 4.87 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.84 |
| P1 (No. 1) | Triclinic | — | — | — | 3.21 |
| P1 (No. 1) | Triclinic | — | — | — | 2.66 |
| P1 (No. 1) | Triclinic | — | — | — | 2.51 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.02 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.05 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.38 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.75 |
Uses
Applications
Where Cs3Bi is used.
condensed matter physics researchtopological insulator studiessemiconductor materials development
Reference
Frequently Asked Questions
Common questions about Cs3Bi, answered from cross-validated data.
What is Cs3Bi?
This compound is a binary intermetallic material composed of cesium and bismuth. It is primarily studied in condensed matter physics for its unique electronic properties and potential as a topological material.
More questions
What is Cs3Bi used for?
Cs3Bi is used in condensed matter physics research, topological insulator studies, and semiconductor materials development.
What is the band gap of Cs3Bi?
Cs3Bi has a DFT-computed band gap of 0.18 eV across 19 reported structures.
Is Cs3Bi a metal, semiconductor, or insulator?
With a band gap up to 0.18 eV it is a semiconductor.
Is Cs3Bi thermodynamically stable?
Yes — Cs3Bi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs3Bi?
The lowest-energy reported polymorph of Cs3Bi is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Cs3Bi?
The computed density of the ground-state structure of Cs3Bi is 4.87 g/cm³.
How many polymorphs of Cs3Bi are known?
19 structures of Cs3Bi are reported across 2 databases, spanning 6 distinct space groups.
What elements does Cs3Bi contain?
Cs3Bi contains Bi and Cs (2 elements).
Where does the data for Cs3Bi come from?
Cs3Bi 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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