Ba1P2Te1
Barium phosphide telluride is a ternary inorganic compound composed of barium, phosphorus, and tellurium. It is primarily utilized in materials science research for the exploration of semiconductor properties and structural chemistry.
Key Properties
Cross-validated computational properties for Ba1P2Te1, 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 Ba1P2Te1, 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 | 1.17 | 0.1185 | -4.780 | 4.81 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ba1P2Te1 is used.
Frequently Asked Questions
Common questions about Ba1P2Te1, answered from cross-validated data.
What is Ba1P2Te1?
Barium phosphide telluride is a ternary inorganic compound composed of barium, phosphorus, and tellurium. It is primarily utilized in materials science research for the exploration of semiconductor properties and structural chemistry.
What is Ba1P2Te1 used for?
What is the band gap of Ba1P2Te1?
Is Ba1P2Te1 a metal, semiconductor, or insulator?
Is Ba1P2Te1 thermodynamically stable?
What is the crystal structure of Ba1P2Te1?
What is the density of Ba1P2Te1?
How many polymorphs of Ba1P2Te1 are known?
What elements does Ba1P2Te1 contain?
Where does the data for Ba1P2Te1 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).
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