Bi1Ni1Y1
Bi1Ni1Y1 is a thermodynamically stable semiconducting intermetallic compound composed of bismuth, nickel, and yttrium.
About Bi1Ni1Y1
Bi1Ni1Y1 is a distinct intermetallic compound composed of bismuth, nickel, and yttrium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these three elements that is well-suited for systematic investigation in solid-state chemistry.
The material exhibits semiconducting electronic character, positioning it as an intriguing candidate for specialized electronic applications. With multiple reported structures identified in materials databases, it serves as a foundational subject for researchers exploring the complex interplay between heavy p-block elements and transition metals.
Key Properties
Cross-validated computational properties for Bi1Ni1Y1, 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 Bi1Ni1Y1, 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 | 0.20 | 0.0000 | -6.051 | 8.81 |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Bi1Ni1Y1 is used.
Frequently Asked Questions
Common questions about Bi1Ni1Y1, answered from cross-validated data.
What is Bi1Ni1Y1?
Bi1Ni1Y1 is a thermodynamically stable semiconducting intermetallic compound composed of bismuth, nickel, and yttrium.
What is Bi1Ni1Y1 used for?
What is the band gap of Bi1Ni1Y1?
Is Bi1Ni1Y1 a metal, semiconductor, or insulator?
Is Bi1Ni1Y1 thermodynamically stable?
What is the crystal structure of Bi1Ni1Y1?
What is the density of Bi1Ni1Y1?
How many polymorphs of Bi1Ni1Y1 are known?
What elements does Bi1Ni1Y1 contain?
Where does the data for Bi1Ni1Y1 come from?
How It Compares
As a unique ternary intermetallic, Bi1Ni1Y1 occupies a specific niche in materials science, serving as a primary reference point for studies involving bismuth-nickel-yttrium systems where structural stability is a critical design parameter.
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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