As1Ba2In1
As1Ba2In1 is a thermodynamically stable semiconducting material composed of arsenic, barium, and indium.
About As1Ba2In1
As1Ba2In1 is a distinct ternary compound composed of arsenic, barium, and indium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its elemental system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating specialized electronic or optoelectronic properties. Its stability suggests potential for integration into complex material architectures where consistent phase behavior is required.
Key Properties
Cross-validated computational properties for As1Ba2In1, 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 As1Ba2In1, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.22 | 0.0000 | -3.939 | 6.63 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As1Ba2In1, answered from cross-validated data.
What is As1Ba2In1?
As1Ba2In1 is a thermodynamically stable semiconducting material composed of arsenic, barium, and indium.
What is the band gap of As1Ba2In1?
Is As1Ba2In1 a metal, semiconductor, or insulator?
Is As1Ba2In1 thermodynamically stable?
What is the crystal structure of As1Ba2In1?
What is the density of As1Ba2In1?
How many polymorphs of As1Ba2In1 are known?
What elements does As1Ba2In1 contain?
Where does the data for As1Ba2In1 come from?
How It Compares
As a unique ternary phase, As1Ba2In1 serves as a foundational reference point for the study of arsenic-barium-indium systems, providing a stable benchmark for exploring the electronic and structural diversity of similar intermetallic semiconductors.
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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