Ba2P16
Ba2P16 is a semiconducting barium phosphide compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Ba2P16
Ba2P16 is a semiconducting binary compound composed of barium and phosphorus. Its electronic properties suggest potential utility in specialized semiconductor technologies where specific charge transport characteristics are required. The material is categorized as near-hull, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis.
Because of its structural complexity and the presence of multiple reported configurations across databases, this compound is a subject of interest for researchers exploring novel phosphorus-rich frameworks. Its stability profile positions it as a significant entry in the study of alkaline-earth phosphides.
Key Properties
Cross-validated computational properties for Ba2P16, 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.
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 Ba2P16, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.89 | 0.0089 | -5.337 | 3.15 |
| No. 0 | unknown | — | — | — | 1.63 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Ba2P16 is used.
Frequently Asked Questions
Common questions about Ba2P16, answered from cross-validated data.
What is Ba2P16?
Ba2P16 is a semiconducting barium phosphide compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Ba2P16 used for?
What is the band gap of Ba2P16?
Is Ba2P16 a metal, semiconductor, or insulator?
Is Ba2P16 thermodynamically stable?
What is the crystal structure of Ba2P16?
What is the density of Ba2P16?
How many polymorphs of Ba2P16 are known?
What elements does Ba2P16 contain?
Where does the data for Ba2P16 come from?
How It Compares
As a phosphorus-rich binary phase, Ba2P16 occupies a unique niche within the broader landscape of barium phosphides, where it serves as a distinct structural variant compared to more common, simpler stoichiometric phosphides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Ba2P16 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →