Ba3P2
Barium phosphide · Tribarium diphosphide
Barium phosphide is an inorganic compound composed of barium and phosphorus. It is primarily utilized as a chemical reagent in specialized synthesis processes and as a precursor for the production of other phosphide materials.
Key Properties
Cross-validated computational properties for Barium phosphide, aggregated across 3 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 Ba3P2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.25 | 0.0000 | -4.299 | 4.34 |
| Pm-3m (No. 221) | cubic | 0.07 | 0.4421 | -3.857 | 3.56 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where Barium phosphide is used.
Frequently Asked Questions
Common questions about Barium phosphide, answered from cross-validated data.
What is Ba3P2?
Barium phosphide is an inorganic compound composed of barium and phosphorus. It is primarily utilized as a chemical reagent in specialized synthesis processes and as a precursor for the production of other phosphide materials.
What is Ba3P2 used for?
What is the band gap of Ba3P2?
Is Ba3P2 a metal, semiconductor, or insulator?
Is Ba3P2 thermodynamically stable?
What is the crystal structure of Ba3P2?
What is the density of Ba3P2?
How many polymorphs of Ba3P2 are known?
What elements does Ba3P2 contain?
Where does the data for Ba3P2 come from?
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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