TiFe2Bi2PbO9
TiFe2Bi2PbO9 is a metastable semiconducting oxide composed of titanium, iron, bismuth, lead, and oxygen.
About TiFe2Bi2PbO9
TiFe2Bi2PbO9 is a complex oxide featuring a diverse array of metallic elements. As a metastable semiconducting material, it represents a unique intersection of heavy metal chemistry and oxide-based electronic behavior, offering researchers a distinct structural profile for investigation.
Its existence across multiple structural configurations highlights its versatility in solid-state chemistry. This compound is primarily studied for its potential in specialized electronic applications where its specific semiconducting properties and complex atomic arrangement can be leveraged.
Key Properties
Cross-validated computational properties for TiFe2Bi2PbO9, 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 TiFe2Bi2PbO9, 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. |
|---|---|---|---|---|---|
| P3 (No. 143) | trigonal | 2.11 | 0.0346 | -7.386 | 7.86 |
| P3 (No. 143) | trigonal | 0.00 | 0.0437 | -7.377 | 7.97 |
| P3 (No. 143) | Trigonal | — | — | — | 7.97 |
| P3 (No. 143) | Trigonal | — | — | — | 8.53 |
| P3 (No. 143) | Trigonal | — | — | — | 7.86 |
| P3 (No. 143) | Trigonal | — | — | — | 8.11 |
| P3 (No. 143) | Trigonal | — | — | — | 8.23 |
| P3 (No. 143) | Trigonal | — | — | — | 8.43 |
| P3 (No. 143) | — | — | — | — | — |
Applications
Where TiFe2Bi2PbO9 is used.
Frequently Asked Questions
Common questions about TiFe2Bi2PbO9, answered from cross-validated data.
What is TiFe2Bi2PbO9?
TiFe2Bi2PbO9 is a metastable semiconducting oxide composed of titanium, iron, bismuth, lead, and oxygen.
What is TiFe2Bi2PbO9 used for?
What is the band gap of TiFe2Bi2PbO9?
Is TiFe2Bi2PbO9 a metal, semiconductor, or insulator?
Is TiFe2Bi2PbO9 thermodynamically stable?
What is the crystal structure of TiFe2Bi2PbO9?
What is the density of TiFe2Bi2PbO9?
How many polymorphs of TiFe2Bi2PbO9 are known?
What elements does TiFe2Bi2PbO9 contain?
Where does the data for TiFe2Bi2PbO9 come from?
How It Compares
As a unique complex oxide, TiFe2Bi2PbO9 serves as an intriguing case study in structural diversity. Without direct siblings in its immediate class, it stands as a specialized example of how multi-element integration can yield metastable phases with semiconducting characteristics, distinguishing it from simpler binary or ternary oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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