Bi1In1Na2
This intermetallic compound is composed of bismuth, indium, and sodium. It is primarily studied in academic research settings to understand complex crystal structures and phase stability in ternary alkali metal systems.
BiInNa
Overview
Key Properties
Cross-validated computational properties for Bi1In1Na2, 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.
0.05 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.
1.181 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Bi1In1Na2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.05 | 1.1810 | -1.405 | 0.41 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Uses
Applications
Where Bi1In1Na2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Bi1In1Na2, answered from cross-validated data.
What is Bi1In1Na2?
This intermetallic compound is composed of bismuth, indium, and sodium. It is primarily studied in academic research settings to understand complex crystal structures and phase stability in ternary alkali metal systems.
More questions
What is Bi1In1Na2 used for?
Bi1In1Na2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Bi1In1Na2?
Bi1In1Na2 has a DFT-computed band gap of 0.05 eV across 27 reported structures.
Is Bi1In1Na2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Bi1In1Na2 thermodynamically stable?
Bi1In1Na2 has a lowest energy above hull of 1.181 eV/atom (above hull).
What is the crystal structure of Bi1In1Na2?
The lowest-energy reported polymorph of Bi1In1Na2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Bi1In1Na2?
The computed density of the ground-state structure of Bi1In1Na2 is 0.41 g/cm³.
How many polymorphs of Bi1In1Na2 are known?
27 structures of Bi1In1Na2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Bi1In1Na2 contain?
Bi1In1Na2 contains Bi, In, and Na (3 elements).
Where does the data for Bi1In1Na2 come from?
Bi1In1Na2 data is cross-referenced from materials_project, aflow.
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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