BaIn
Barium indium is an intermetallic compound composed of barium and indium. It is primarily studied in materials science research for its structural properties and behavior as a metallic phase.
BaIn
Overview
Key Properties
Cross-validated computational properties for BaIn, aggregated across 4 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.
Metallic / not reported
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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
51
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BaIn, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -2.755 | 5.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.85 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.61 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.17 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.54 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.45 |
| Cccm (No. 66) | Orthorhombic | — | — | — | 3.34 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.14 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.44 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.73 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 2.91 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.21 |
Uses
Applications
Where BaIn is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about BaIn, answered from cross-validated data.
What is BaIn?
Barium indium is an intermetallic compound composed of barium and indium. It is primarily studied in materials science research for its structural properties and behavior as a metallic phase.
More questions
What is BaIn used for?
BaIn is used in materials science research and solid-state chemistry studies.
What is the band gap of BaIn?
BaIn is computed to be metallic (no band gap) in the reported DFT structures.
Is BaIn a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is BaIn thermodynamically stable?
Yes — BaIn sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BaIn?
The lowest-energy reported polymorph of BaIn is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of BaIn?
The computed density of the ground-state structure of BaIn is 5.65 g/cm³.
How many polymorphs of BaIn are known?
51 structures of BaIn are reported across 4 databases, spanning 15 distinct space groups.
What elements does BaIn contain?
BaIn contains Ba and In (2 elements).
Where does the data for BaIn come from?
BaIn data is cross-referenced from materials_project, mpaloe, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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