Bi1Co1Zr1
This is a ternary intermetallic compound composed of bismuth, cobalt, and zirconium. It is primarily studied in materials science research for its structural and electronic properties in the context of advanced alloy development.
Key Properties
Cross-validated computational properties for Bi1Co1Zr1, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Bi1Co1Zr1, 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 | 0.98 | 0.0000 | -6.936 | 10.07 |
| Fmm2 (No. 42) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Bi1Co1Zr1 is used.
Frequently Asked Questions
Common questions about Bi1Co1Zr1, answered from cross-validated data.
What is Bi1Co1Zr1?
This is a ternary intermetallic compound composed of bismuth, cobalt, and zirconium. It is primarily studied in materials science research for its structural and electronic properties in the context of advanced alloy development.
What is Bi1Co1Zr1 used for?
What is the band gap of Bi1Co1Zr1?
Is Bi1Co1Zr1 a metal, semiconductor, or insulator?
Is Bi1Co1Zr1 thermodynamically stable?
What is the crystal structure of Bi1Co1Zr1?
What is the density of Bi1Co1Zr1?
How many polymorphs of Bi1Co1Zr1 are known?
What elements does Bi1Co1Zr1 contain?
Where does the data for Bi1Co1Zr1 come from?
Related Compounds
Other Half-Heusler Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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